3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-prop-2-enyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-prop-2-enyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-allyl-3-(4-methylpiperazin-4-ium-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-prop-2-enyl-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-5-prop-2-enylbenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-allyl-3-(4-methylpiperazin-4-ium-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C22H23N3O2S/c1-3-10-25-18-15-16(21(26)24-13-11-23(2)12-14-24)8-9-20(18)28-19-7-5-4-6-17(19)22(25)27/h3-9,15H,1,10-14H2,2H3/p+1