methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)anilino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium Traditional Name: benzyl-[2-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]-methyl-ammonium Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O/c1-23(15-18-7-3-2-4-8-18)17-21(25)22-20-11-9-19(10-12-20)16-24-13-5-6-14-24/h2-4,7-12H,5-6,13-17H2,1H3,(H,22,25)/p+2