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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-allyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-allyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C22H28N5O3S+ MolecularWeight: 442.55442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3S/c1-3-10-26(22-23-17-6-4-5-7-20(17)31-22)21(28)16-8-9-18(19(15-16)27(29)30)25-13-11-24(2)12-14-25/h3,8-9,15H,1,4-7,10-14H2,2H3/p+1