N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-[[(3R)-1-[(4-ethylphenyl)methyl]-3-piperidin-1-iumyl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-[[(3R)-1-(4-ethylbenzyl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C24H32N2O3/c1-4-18-7-9-19(10-8-18)16-26-11-5-6-20(17-26)15-25-24(27)21-12-22(28-2)14-23(13-21)29-3/h7-10,12-14,20H,4-6,11,15-17H2,1-3H3,(H,25,27)/p+1/t20-/m1/s1