(3S)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-benzyl-N-(3-isobutoxy-4-methoxy-phenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-benzyl-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-benzyl-N-(3-isobutoxy-4-methoxy-phenyl)piperidin-1-ium-3-carboxamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)NC(=O)C2CCC[NH+](C2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)NC(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C24H32N2O3/c1-18(2)17-29-23-14-21(11-12-22(23)28-3)25-24(27)20-10-7-13-26(16-20)15-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,18,20H,7,10,13,15-17H2,1-3H3,(H,25,27)/p+1/t20-/m0/s1