(3,4-dichlorophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-dichlorophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dichlorophenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dichlorophenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dichlorophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dichlorophenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C16H17Cl2N2OS+ MolecularWeight: 356.28998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N2OS/c17-14-2-1-13(9-15(14)18)16(21)20-6-4-19(5-7-20)10-12-3-8-22-11-12/h1-3,8-9,11H,4-7,10H2/p+1