3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-allyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-allyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C22H29N4O3S2+ MolecularWeight: 461.62066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC=C)C3=NC4=C(S3)CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC=C)C3=NC4=C(S3)CCCC4

InChI

InChI=1S/C22H28N4O3S2/c1-3-11-26(22-23-19-9-4-5-10-20(19)30-22)21(27)17-7-6-8-18(16-17)31(28,29)25-14-12-24(2)13-15-25/h3,6-8,16H,1,4-5,9-15H2,2H3/p+1