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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]-piperonyl-ammonium Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C25H32N2O3/c1-17(2)21-10-6-7-18(3)25(21)26-24(28)15-27(20-8-4-5-9-20)14-19-11-12-22-23(13-19)30-16-29-22/h6-7,10-13,17,20H,4-5,8-9,14-16H2,1-3H3,(H,26,28)/p+1