2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-4-methyl-1-oxidanidyl-2-oxidanylidene-piperazin-1-ium-1-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-4-methyl-1-oxidanidyl-2-oxidanylidene-piperazin-1-ium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-4-methyl-1-oxido-2-oxo-piperazin-1-ium-1-yl]-N-pentyl-acetamide CAS Name: 2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-4-methyl-1-oxido-2-oxo-1-piperazin-1-iumyl]-N-pentylacetamide IUPAC Name: 2-[3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-4-methyl-1-oxido-2-oxopiperazin-1-ium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[3-[3-[4-(butylaminomethyl)phenyl]benzyl]-2-keto-4-methyl-1-oxido-piperazin-1-ium-1-yl]acetamide Formula: C30H44N4O3 MolecularWeight: 508.69536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C[N+]1(CCN(C(C1=O)CC2=CC=CC(=C2)C3=CC=C(C=C3)CNCCCC)C)[O-]

Isomeric SMILES

CCCCCNC(=O)C[N+]1(CCN(C(C1=O)CC2=CC=CC(=C2)C3=CC=C(C=C3)CNCCCC)C)[O-]

InChI

InChI=1S/C30H44N4O3/c1-4-6-8-17-32-29(35)23-34(37)19-18-33(3)28(30(34)36)21-25-10-9-11-27(20-25)26-14-12-24(13-15-26)22-31-16-7-5-2/h9-15,20,28,31H,4-8,16-19,21-23H2,1-3H3,(H,32,35)