4-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)butan-2-amine hydrochloride

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)butan-2-amine hydrochloride Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-benzyl-butan-2-amine hydrochloride CAS Name: 4-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)-2-butanamine hydrochloride IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-benzylbutan-2-amine hydrochloride Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-benzyl-amine hydrochloride Formula: C18H22ClNO2 MolecularWeight: 319.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NCC3=CC=CC=C3.Cl

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NCC3=CC=CC=C3.Cl

InChI

InChI=1S/C18H21NO2.ClH/c1-14(19-12-16-5-3-2-4-6-16)7-8-15-9-10-17-18(11-15)21-13-20-17;/h2-6,9-11,14,19H,7-8,12-13H2,1H3;1H