N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-3-methyl-butyramide Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN3O/c1-17(2)15-22(27)24-19-7-9-20(10-8-19)26-13-11-25(12-14-26)16-18-5-3-4-6-21(18)23/h3-10,17H,11-16H2,1-2H3,(H,24,27)/p+1