N-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1R)-1-phenylethyl]-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C24H32N2O4/c1-17(19-8-6-5-7-9-19)25-24(27)20-10-12-26(13-11-20)16-18-14-21(28-2)23(30-4)22(15-18)29-3/h5-9,14-15,17,20H,10-13,16H2,1-4H3,(H,25,27)/p+1/t17-/m1/s1