4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methylpyridin-1-ium-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methylpyridin-1-ium-4-yl)piperidine-4-carboxylic acid Openeye Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methylpyridin-1-ium-4-yl)piperidine-4-carboxylic acid CAS Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methyl-4-pyridin-1-iumyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methylpyridin-1-ium-4-yl)piperidine-4-carboxylic acid Traditional Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-methylpyridin-1-ium-4-yl)isonipecotic acid Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)OCC3(CCN(CC3)C4=CC=[N+](C=C4)C)C(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)OCC3(CCN(CC3)C4=CC=[N+](C=C4)C)C(=O)O

InChI

InChI=1S/C23H29N3O3/c1-24-11-6-20(7-12-24)26-13-8-23(9-14-26,22(27)28)17-29-21-4-3-18-5-10-25(2)16-19(18)15-21/h3-4,6-7,11-12,15H,5,8-10,13-14,16-17H2,1-2H3/p+1