methyl 2,3-bis(azanyl)-6-(1-pyridin-4-ylpiperidin-4-yl)benzoate hydrate hydrochloride

Systemtic Name: methyl 2,3-bis(azanyl)-6-(1-pyridin-4-ylpiperidin-4-yl)benzoate hydrate hydrochloride Openeye Name: methyl 2,3-diamino-6-[1-(4-pyridyl)-4-piperidyl]benzoate hydrate hydrochloride CAS Name: 2,3-diamino-6-(1-pyridin-4-yl-4-piperidinyl)benzoic acid methyl ester hydrate hydrochloride IUPAC Name: methyl 2,3-diamino-6-(1-pyridin-4-ylpiperidin-4-yl)benzoate hydrate hydrochloride Traditional Name: 2,3-diamino-6-[1-(4-pyridyl)-4-piperidyl]benzoic acid methyl ester hydrate hydrochloride Formula: C18H25ClN4O3 MolecularWeight: 380.8691

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1N)N)C2CCN(CC2)C3=CC=NC=C3.O.Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1N)N)C2CCN(CC2)C3=CC=NC=C3.O.Cl

InChI

InChI=1S/C18H22N4O2.ClH.H2O/c1-24-18(23)16-14(2-3-15(19)17(16)20)12-6-10-22(11-7-12)13-4-8-21-9-5-13;;/h2-5,8-9,12H,6-7,10-11,19-20H2,1H3;1H;1H2