2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-1-methyl-2,5-bis(oxidanylidene)piperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]ethanamide

Systemtic Name: 2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-1-methyl-2,5-bis(oxidanylidene)piperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]ethanamide Openeye Name: 2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-1-methyl-2,5-dioxo-piperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide CAS Name: 2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-1-methyl-2,5-dioxo-1-piperazin-1-iumyl]-N-[2-(4-chlorophenyl)ethyl]acetamide IUPAC Name: 2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-1-methyl-2,5-dioxopiperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide Traditional Name: 2-[3-[3-[4-(butylaminomethyl)phenyl]benzyl]-2,5-diketo-1-methyl-piperazin-1-ium-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide Formula: C33H40ClN4O3+ MolecularWeight: 576.1487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=C(C=C1)C2=CC(=CC=C2)CC3C(=O)[N+](CC(=O)N3)(C)CC(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCNCC1=CC=C(C=C1)C2=CC(=CC=C2)CC3C(=O)[N+](CC(=O)N3)(C)CC(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C33H39ClN4O3/c1-3-4-17-35-21-25-8-12-27(13-9-25)28-7-5-6-26(19-28)20-30-33(41)38(2,23-32(40)37-30)22-31(39)36-18-16-24-10-14-29(34)15-11-24/h5-15,19,30,35H,3-4,16-18,20-23H2,1-2H3,(H-,36,37,39,40)/p+1