[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O3/c1-14(7-8-15-5-3-2-4-6-15)20-12-19(22)21-16-9-10-17-18(11-16)24-13-23-17/h2-6,9-11,14,20H,7-8,12-13H2,1H3,(H,21,22)/p+1/t14-/m1/s1