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

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]cyclobutanecarboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O/c26-22(19-7-4-8-19)23-20-9-11-21(12-10-20)25-15-13-24(14-16-25)17-18-5-2-1-3-6-18/h1-3,5-6,9-12,19H,4,7-8,13-17H2,(H,23,26)/p+1