[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [2-(3-cyanoanilino)-2-oxoethyl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-(3-cyanoanilino)-2-keto-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H26N4O/c1-25(17-22(27)24-20-10-7-8-18(14-20)15-23)16-19-9-3-4-11-21(19)26-12-5-2-6-13-26/h3-4,7-11,14H,2,5-6,12-13,16-17H2,1H3,(H,24,27)/p+1