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

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(1-methylpiperidin-1-ium-4-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(1-methylpiperidin-1-ium-4-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[(1-methyl-4-piperidin-1-iumyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(1-methylpiperidin-1-ium-4-carbonyl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[(1-methylpiperidin-1-ium-4-carbonyl)-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl]amino]ethyl]ammonium Formula: C25H45N4O2+3 MolecularWeight: 433.6504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C(=O)N(CC[NH+](C)C)CC2CCC[NH+](C2)CC3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCC(CC1)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[NH+](C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C25H42N4O2/c1-26(2)16-17-29(25(30)22-11-14-27(3)15-12-22)19-21-8-7-13-28(18-21)20-23-9-5-6-10-24(23)31-4/h5-6,9-10,21-22H,7-8,11-20H2,1-4H3/p+3/t21-/m0/s1