N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]hexanamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]hexanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]hexanamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]hexanamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]hexanamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]hexanamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-2-3-5-10-23(27)24-21-11-13-22(14-12-21)26-17-15-25(16-18-26)19-20-8-6-4-7-9-20/h4,6-9,11-14H,2-3,5,10,15-19H2,1H3,(H,24,27)/p+1