[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl]-(1-benzylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(4-acetylanilino)-2-oxoethyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl]-(1-benzylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(4-acetylanilino)-2-keto-ethyl]-(1-benzylpiperidin-1-ium-4-yl)ammonium Formula: C22H29N3O2+2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-17(26)19-7-9-21(10-8-19)24-22(27)15-23-20-11-13-25(14-12-20)16-18-5-3-2-4-6-18/h2-10,20,23H,11-16H2,1H3,(H,24,27)/p+2