4-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C25H34N5O2+ MolecularWeight: 436.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O2/c31-24(26-22-10-12-23(13-11-22)29-14-6-1-2-7-15-29)20-28-16-18-30(19-17-28)25(32)27-21-8-4-3-5-9-21/h3-5,8-13H,1-2,6-7,14-20H2,(H,26,31)(H,27,32)/p+1