[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-2-yl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-2-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-2-thienyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-2-thiophenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-2-yl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(5-methyl-2-thienyl)methanone Formula: C17H20ClN2OS+ MolecularWeight: 335.8715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

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