[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethylthiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethylthiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethyl-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-ethyl-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethylthiophen-2-yl)methanone Traditional Name: (5-ethyl-2-thienyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N2O3S/c1-2-15-4-6-18(25-15)19(22)21-9-7-20(8-10-21)12-14-3-5-16-17(11-14)24-13-23-16/h3-6,11H,2,7-10,12-13H2,1H3/p+1