4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]pyridine-3-carboxylic acid CAS Name: 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylic acid Traditional Name: 4-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]nicotinic acid Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=C(C=NC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=C(C=NC=C4)C(=O)O

InChI

InChI=1S/C22H27N5O3/c23-22(24)27-10-6-16-1-2-18(11-17(16)13-27)30-14-15-4-8-26(9-5-15)20-3-7-25-12-19(20)21(28)29/h1-3,7,11-12,15H,4-6,8-10,13-14H2,(H3,23,24)(H,28,29)