methyl 4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoate CAS Name: 4-[oxo-[[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoate Traditional Name: 4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]benzoic acid methyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-28-23(27)20-13-11-19(12-14-20)22(26)24-21-10-6-16-25(17-21)15-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3,(H,24,26)/p+1/t21-/m0/s1