methyl 2-[1-[5-(4-carbamimidoylphenyl)pyridin-2-yl]carbonylpiperidin-4-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyridin-2-yl]carbonylpiperidin-4-yl]ethanoate hydrochloride Openeye Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyridine-2-carbonyl]-4-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[5-(4-carbamimidoylphenyl)-2-pyridinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyridine-2-carbonyl]piperidin-4-yl]acetate hydrochloride Traditional Name: 2-[1-[5-(4-amidinophenyl)picolinoyl]-4-piperidyl]acetic acid methyl ester hydrochloride Formula: C21H25ClN4O3 MolecularWeight: 416.9012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)C2=NC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)C2=NC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H24N4O3.ClH/c1-28-19(26)12-14-8-10-25(11-9-14)21(27)18-7-6-17(13-24-18)15-2-4-16(5-3-15)20(22)23;/h2-7,13-14H,8-12H2,1H3,(H3,22,23);1H