[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentyl-azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentyl-azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentyl-ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentylammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentylazanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C23H27N3O4/c1-16(27)24-18-7-9-19(10-8-18)25-23(28)14-26(20-4-2-3-5-20)13-17-6-11-21-22(12-17)30-15-29-21/h6-12,20H,2-5,13-15H2,1H3,(H,24,27)(H,25,28)/p+1