4-azanyl-3-(azepan-1-ylmethyl)benzoic acid dihydrochloride

Systemtic Name: 4-azanyl-3-(azepan-1-ylmethyl)benzoic acid dihydrochloride Openeye Name: 4-amino-3-(azepan-1-ylmethyl)benzoic acid dihydrochloride CAS Name: 4-amino-3-(1-azepanylmethyl)benzoic acid dihydrochloride IUPAC Name: 4-amino-3-(azepan-1-ylmethyl)benzoic acid dihydrochloride Traditional Name: 4-amino-3-(azepan-1-ylmethyl)benzoic acid dihydrochloride Formula: C14H22Cl2N2O2 MolecularWeight: 321.24268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC(=C2)C(=O)O)N.Cl.Cl

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC(=C2)C(=O)O)N.Cl.Cl

InChI

InChI=1S/C14H20N2O2.2ClH/c15-13-6-5-11(14(17)18)9-12(13)10-16-7-3-1-2-4-8-16;;/h5-6,9H,1-4,7-8,10,15H2,(H,17,18);2*1H