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

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C21H27ClN3O4S2+ MolecularWeight: 485.03978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26ClN3O4S2/c1-29-18-6-4-16(14-19(18)31(27,28)25-8-2-3-9-25)21(26)24-12-10-23(11-13-24)15-17-5-7-20(22)30-17/h4-7,14H,2-3,8-13,15H2,1H3/p+1