(2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium Openeye Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]ammonium IUPAC Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O2/c1-19-9-10-23(29-3)21(15-19)17-26(2)18-24(28)25-22-11-13-27(14-12-22)16-20-7-5-4-6-8-20/h4-10,15,22H,11-14,16-18H2,1-3H3,(H,25,28)/p+2