1-[(1-methylpiperidin-4-yl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(1-methylpiperidin-4-yl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[(1-methyl-4-piperidyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[(1-methyl-4-piperidinyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[(1-methylpiperidin-4-yl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[(1-methyl-4-piperidyl)amino]isoquinoline-3-carboxylic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1CCC(CC1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H19N3O2/c1-19-8-6-12(7-9-19)17-15-13-5-3-2-4-11(13)10-14(18-15)16(20)21/h2-5,10,12H,6-9H2,1H3,(H,17,18)(H,20,21)