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

Systemtic Name: 1-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2/c21-20(26)16-9-13-23(14-10-16)15-19(25)22-17-5-7-18(8-6-17)24-11-3-1-2-4-12-24/h5-8,16H,1-4,9-15H2,(H2,21,26)(H,22,25)/p+1