methyl 3-[[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]carbamoyl]benzoate Openeye Name: methyl 3-[[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]carbamoyl]benzoate CAS Name: 3-[[[(3R)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]carbamoyl]benzoate Traditional Name: 3-[[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]carbamoyl]benzoic acid methyl ester Formula: C20H31N3O3+2 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@H](C2)NC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C20H29N3O3/c1-22-11-8-18(9-12-22)23-10-4-7-17(14-23)21-19(24)15-5-3-6-16(13-15)20(25)26-2/h3,5-6,13,17-18H,4,7-12,14H2,1-2H3,(H,21,24)/p+2/t17-/m1/s1