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

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[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]-[(4-dimethylaminophenyl)methyl]-ethyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]ammonium IUPAC Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C25H38N4O+2 MolecularWeight: 410.59542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O/c1-4-28(18-22-10-12-24(13-11-22)27(2)3)20-25(30)26-23-14-16-29(17-15-23)19-21-8-6-5-7-9-21/h5-13,23H,4,14-20H2,1-3H3,(H,26,30)/p+2