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

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Openeye Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-thienyl)methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-3-thiophenyl)methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Traditional Name: [4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(5-methyl-3-thienyl)methanone Formula: C17H20ClN2OS+ MolecularWeight: 335.8715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN2OS/c1-13-10-15(12-22-13)17(21)20-8-6-19(7-9-20)11-14-2-4-16(18)5-3-14/h2-5,10,12H,6-9,11H2,1H3/p+1