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

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pentanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]pentanamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]pentanamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]pentanamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]valeramide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-2-3-9-22(26)23-20-10-12-21(13-11-20)25-16-14-24(15-17-25)18-19-7-5-4-6-8-19/h4-8,10-13H,2-3,9,14-18H2,1H3,(H,23,26)/p+1