N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-2,3-dimethoxybenzamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2,3-dimethoxybenzamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)NCC2CCC[NH+](C2)C3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)NC[C@H]2CCC[NH+](C2)C3CCCCC3

InChI

InChI=1S/C21H32N2O3/c1-25-19-12-6-11-18(20(19)26-2)21(24)22-14-16-8-7-13-23(15-16)17-9-4-3-5-10-17/h6,11-12,16-17H,3-5,7-10,13-15H2,1-2H3,(H,22,24)/p+1/t16-/m1/s1