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

Systemtic Name: methyl 3-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]carbamoyl]benzoate Openeye Name: methyl 3-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]carbamoyl]benzoate CAS Name: 3-[[methyl-[(3S)-1-phenethyl-3-piperidin-1-iumyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]carbamoyl]benzoate Traditional Name: 3-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]carbamoyl]benzoic acid methyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O3/c1-24(22(26)19-10-6-11-20(16-19)23(27)28-2)21-12-7-14-25(17-21)15-13-18-8-4-3-5-9-18/h3-6,8-11,16,21H,7,12-15,17H2,1-2H3/p+1/t21-/m0/s1