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

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-methyl-phenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-methyl-phenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(3-methoxy-4-methylphenyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-methylphenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-methyl-phenyl)methanone Formula: C18H22ClN2O2S+ MolecularWeight: 365.89748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2S/c1-13-3-4-14(11-16(13)23-2)18(22)21-9-7-20(8-10-21)12-15-5-6-17(19)24-15/h3-6,11H,7-10,12H2,1-2H3/p+1