ethyl 4-[(7-carbamimidoylnaphthalen-2-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylate dihydrochloride

Systemtic Name: ethyl 4-[(7-carbamimidoylnaphthalen-2-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylate dihydrochloride Openeye Name: ethyl 4-[(7-carbamimidoyl-2-naphthyl)oxymethyl]-1-(4-pyridyl)piperidine-4-carboxylate dihydrochloride CAS Name: 4-[(7-carbamimidoyl-2-naphthalenyl)oxymethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[(7-carbamimidoylnaphthalen-2-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylate dihydrochloride Traditional Name: 4-[(7-amidino-2-naphthoxy)methyl]-1-(4-pyridyl)isonipecotic acid ethyl ester dihydrochloride Formula: C25H30Cl2N4O3 MolecularWeight: 505.4367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(C=CC(=C4)C(=N)N)C=C3.Cl.Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(C=CC(=C4)C(=N)N)C=C3.Cl.Cl

InChI

InChI=1S/C25H28N4O3.2ClH/c1-2-31-24(30)25(9-13-29(14-10-25)21-7-11-28-12-8-21)17-32-22-6-5-18-3-4-19(23(26)27)15-20(18)16-22;;/h3-8,11-12,15-16H,2,9-10,13-14,17H2,1H3,(H3,26,27);2*1H