methyl-[(2-methylphenyl)methyl]-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium Openeye Name: methyl-(o-tolylmethyl)-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-pyrrolidinoanilino)ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C21H27N3O/c1-17-7-3-4-8-18(17)15-23(2)16-21(25)22-19-9-11-20(12-10-19)24-13-5-6-14-24/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,22,25)/p+1