4-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrate hydrochloride

Systemtic Name: 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrate hydrochloride Openeye Name: 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrate hydrochloride CAS Name: 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrate hydrochloride IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrate hydrochloride Traditional Name: 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrate hydrochloride Formula: C13H21ClN2O3 MolecularWeight: 288.77044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.O.Cl

Isomeric SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.O.Cl

InChI

InChI=1S/C13H18N2O2.ClH.H2O/c1-14-7-2-8-15(10-9-14)12-5-3-11(4-6-12)13(16)17;;/h3-6H,2,7-10H2,1H3,(H,16,17);1H;1H2