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

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-thienyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-3-thiophenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Traditional Name: [4-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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