[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-cyclopropyl-[(4-isopropylphenyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-cyclopropyl-(4-isopropylbenzyl)ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=CC3=C(C=C2)OCO3)C4CC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=CC3=C(C=C2)OCO3)C4CC4

InChI

InChI=1S/C22H26N2O3/c1-15(2)17-5-3-16(4-6-17)12-24(19-8-9-19)13-22(25)23-18-7-10-20-21(11-18)27-14-26-20/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3,(H,23,25)/p+1