2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(5-methylthiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(5-methylthiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(5-methylthiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[(5-methyl-2-thiophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(5-methylthiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[(5-methylthiophene-2-carbonyl)-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl]amino]ethyl]ammonium Formula: C24H37N3O2S+2 MolecularWeight: 431.63448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N(CC[NH+](C)C)CC2CCC[NH+](C2)CC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[NH+](C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C24H35N3O2S/c1-19-11-12-23(30-19)24(28)27(15-14-25(2)3)17-20-8-7-13-26(16-20)18-21-9-5-6-10-22(21)29-4/h5-6,9-12,20H,7-8,13-18H2,1-4H3/p+2/t20-/m0/s1