methyl 3-[methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoate Openeye Name: methyl 3-[methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoate CAS Name: 3-[[methyl-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoate Traditional Name: 3-[methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoic acid methyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C24H30N2O3/c1-25(23(27)20-12-6-13-21(17-20)24(28)29-2)22-14-8-16-26(18-22)15-7-11-19-9-4-3-5-10-19/h3-6,9-10,12-13,17,22H,7-8,11,14-16,18H2,1-2H3/p+1/t22-/m0/s1