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

Systemtic Name: methyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoate hydrochloride Openeye Name: methyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-4-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-4-yl]acetate hydrochloride Traditional Name: 2-[1-[1-(4-amidinophenyl)isonipecotoyl]-4-piperidyl]acetic acid methyl ester hydrochloride Formula: C21H31ClN4O3 MolecularWeight: 422.94884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H30N4O3.ClH/c1-28-19(26)14-15-6-10-25(11-7-15)21(27)17-8-12-24(13-9-17)18-4-2-16(3-5-18)20(22)23;/h2-5,15,17H,6-14H2,1H3,(H3,22,23);1H