1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(2,6-diisopropylanilino)-2-keto-ethyl]-piperonyl-ammonium Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C27H36N2O3/c1-18(2)22-10-7-11-23(19(3)4)27(22)28-26(30)16-29(21-8-5-6-9-21)15-20-12-13-24-25(14-20)32-17-31-24/h7,10-14,18-19,21H,5-6,8-9,15-17H2,1-4H3,(H,28,30)/p+1