1-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(o-anisylamino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-28-20-10-6-5-7-18(20)15-23-21(26)16-25-13-11-17(12-14-25)22(27)24-19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3,(H,23,26)(H,24,27)/p+1