4-azanylbenzoic acid; N-(2-methylpropyl)heptan-2-amine; hydrochloride

Systemtic Name: 4-azanylbenzoic acid; N-(2-methylpropyl)heptan-2-amine; hydrochloride Openeye Name: 4-aminobenzoic acid; N-isobutylheptan-2-amine; hydrochloride CAS Name: 4-aminobenzoic acid; N-(2-methylpropyl)-2-heptanamine; hydrochloride IUPAC Name: 4-aminobenzoic acid; N-(2-methylpropyl)heptan-2-amine; hydrochloride Traditional Name: 4-aminobenzoic acid; isobutyl(1-methylhexyl)amine; hydrochloride Formula: C18H33ClN2O2 MolecularWeight: 344.91982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NCC(C)C.C1=CC(=CC=C1C(=O)O)N.Cl

Isomeric SMILES

CCCCCC(C)NCC(C)C.C1=CC(=CC=C1C(=O)O)N.Cl

InChI

InChI=1S/C11H25N.C7H7NO2.ClH/c1-5-6-7-8-11(4)12-9-10(2)3;8-6-3-1-5(2-4-6)7(9)10;/h10-12H,5-9H2,1-4H3;1-4H,8H2,(H,9,10);1H