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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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