1,3-benzodioxol-5-ylmethyl-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(N-cyclohexylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(N-cyclohexylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(N-cyclohexylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(N-cyclohexylanilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2O3/c1-24(15-18-12-13-21-22(14-18)28-17-27-21)16-23(26)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-14,20H,3,6-7,10-11,15-17H2,1H3/p+1