(5-chloranyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium Openeye Name: [2-(benzylamino)-2-oxo-ethyl]-[(5-chloro-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium IUPAC Name: [2-(benzylamino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(benzylamino)-2-keto-ethyl]-(5-chloro-2-methoxy-benzyl)-methyl-ammonium Formula: C18H22ClN2O2+ MolecularWeight: 333.83248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H21ClN2O2/c1-21(12-15-10-16(19)8-9-17(15)23-2)13-18(22)20-11-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1