N-[4-[[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C24H30N2O3/c1-17(2)29-23-8-4-6-20(14-23)24(28)21-7-5-13-26(16-21)15-19-9-11-22(12-10-19)25-18(3)27/h4,6,8-12,14,17,21H,5,7,13,15-16H2,1-3H3,(H,25,27)/p+1/t21-/m0/s1