1,3-benzodioxol-5-ylmethyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-cyclopentyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-cyclopentylazanium Traditional Name: [3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-cyclopentyl-piperonyl-ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CCC(=O)NC2=C(C=CS2)C#N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)[NH+](CCC(=O)NC2=C(C=CS2)C#N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O3S/c22-12-16-8-10-28-21(16)23-20(25)7-9-24(17-3-1-2-4-17)13-15-5-6-18-19(11-15)27-14-26-18/h5-6,8,10-11,17H,1-4,7,9,13-14H2,(H,23,25)/p+1