(3,4-dimethoxyphenyl)-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O3/c1-15-6-4-8-18(22-15)14-23-11-5-7-17(13-23)21(24)16-9-10-19(25-2)20(12-16)26-3/h4,6,8-10,12,17H,5,7,11,13-14H2,1-3H3/p+1/t17-/m0/s1