[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4,5-dimethylthiophen-3-yl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4,5-dimethylthiophen-3-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4,5-dimethyl-3-thienyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(4,5-dimethyl-3-thiophenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4,5-dimethylthiophen-3-yl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(4,5-dimethyl-3-thienyl)methanone Formula: C18H22ClN2OS+ MolecularWeight: 349.89808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C18H21ClN2OS/c1-13-14(2)23-12-17(13)18(22)21-8-6-20(7-9-21)11-15-4-3-5-16(19)10-15/h3-5,10,12H,6-9,11H2,1-2H3/p+1