1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H26N4O2/c1-20(2)15-5-3-13(4-6-15)11-19-16(22)12-21-9-7-14(8-10-21)17(18)23/h3-6,14H,7-12H2,1-2H3,(H2,18,23)(H,19,22)/p+1