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

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]butanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]butanamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]butanamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]butanamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]butyramide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-2-6-21(25)22-19-9-11-20(12-10-19)24-15-13-23(14-16-24)17-18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-17H2,1H3,(H,22,25)/p+1