4-[(7-carbamimidoylnaphthalen-2-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid dihydrochloride

Systemtic Name: 4-[(7-carbamimidoylnaphthalen-2-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid dihydrochloride Openeye Name: 4-[(7-carbamimidoyl-2-naphthyl)oxymethyl]-1-(4-pyridyl)piperidine-4-carboxylic acid dihydrochloride CAS Name: 4-[(7-carbamimidoyl-2-naphthalenyl)oxymethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid dihydrochloride IUPAC Name: 4-[(7-carbamimidoylnaphthalen-2-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid dihydrochloride Traditional Name: 4-[(7-amidino-2-naphthoxy)methyl]-1-(4-pyridyl)isonipecotic acid dihydrochloride Formula: C23H26Cl2N4O3 MolecularWeight: 477.38354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(COC2=CC3=C(C=CC(=C3)C(=N)N)C=C2)C(=O)O)C4=CC=NC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCC1(COC2=CC3=C(C=CC(=C3)C(=N)N)C=C2)C(=O)O)C4=CC=NC=C4.Cl.Cl

InChI

InChI=1S/C23H24N4O3.2ClH/c24-21(25)17-2-1-16-3-4-20(14-18(16)13-17)30-15-23(22(28)29)7-11-27(12-8-23)19-5-9-26-10-6-19;;/h1-6,9-10,13-14H,7-8,11-12,15H2,(H3,24,25)(H,28,29);2*1H