1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentyl-ammonium CAS Name: [2-(3-acetylanilino)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentylammonium IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentylazanium Traditional Name: [2-(3-acetylanilino)-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-16(26)18-5-4-6-19(12-18)24-23(27)14-25(20-7-2-3-8-20)13-17-9-10-21-22(11-17)29-15-28-21/h4-6,9-12,20H,2-3,7-8,13-15H2,1H3,(H,24,27)/p+1