(7-chloranyl-1,3-benzodioxol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C17H18ClN2O3S+ MolecularWeight: 365.85442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H17ClN2O3S/c18-14-7-13(8-15-16(14)23-11-22-15)17(21)20-4-2-19(3-5-20)9-12-1-6-24-10-12/h1,6-8,10H,2-5,9,11H2/p+1