1,3-benzodioxol-5-ylmethyl-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C23H28ClN2O3+ MolecularWeight: 415.93302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O3/c1-15-9-16(2)23(19(24)10-15)25-22(27)13-26(18-5-3-4-6-18)12-17-7-8-20-21(11-17)29-14-28-20/h7-11,18H,3-6,12-14H2,1-2H3,(H,25,27)/p+1