1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C16H19ClN3O4S2+ MolecularWeight: 416.92276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3)Cl

InChI

InChI=1S/C16H18ClN3O4S2/c1-12-15(17)9-14(10-16(12)20(21)22)26(23,24)19-6-4-18(5-7-19)11-13-3-2-8-25-13/h2-3,8-10H,4-7,11H2,1H3/p+1