2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(4-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(4-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(4-methylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[(4-methylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(4-methylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl-p-toluoyl-amino]ethyl]ammonium Formula: C26H39N3O2+2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)CC2CCC[NH+](C2)CC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[NH+](C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C26H37N3O2/c1-21-11-13-23(14-12-21)26(30)29(17-16-27(2)3)19-22-8-7-15-28(18-22)20-24-9-5-6-10-25(24)31-4/h5-6,9-14,22H,7-8,15-20H2,1-4H3/p+2/t22-/m0/s1