[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Formula: C18H22ClN2OS+ MolecularWeight: 349.89808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)C

InChI

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