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

Systemtic Name: 1-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O2/c31-25(27-23-10-12-24(13-11-23)30-16-6-1-2-7-17-30)20-29-18-14-21(15-19-29)26(32)28-22-8-4-3-5-9-22/h3-5,8-13,21H,1-2,6-7,14-20H2,(H,27,31)(H,28,32)/p+1