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

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methoxy-2-oxidanyl-phenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-hydroxy-4-methoxy-phenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2-hydroxy-4-methoxyphenyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-hydroxy-4-methoxy-phenyl)methanone Formula: C17H20ClN2O3S+ MolecularWeight: 367.8703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)O

InChI

InChI=1S/C17H19ClN2O3S/c1-23-12-2-4-14(15(21)10-12)17(22)20-8-6-19(7-9-20)11-13-3-5-16(18)24-13/h2-5,10,21H,6-9,11H2,1H3/p+1