N,N-dimethyl-10-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]phenothiazine-2-sulfonamide

Systemtic Name: N,N-dimethyl-10-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]phenothiazine-2-sulfonamide Openeye Name: N,N-dimethyl-10-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]phenothiazine-2-sulfonamide CAS Name: N,N-dimethyl-10-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-2-phenothiazinesulfonamide IUPAC Name: N,N-dimethyl-10-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]phenothiazine-2-sulfonamide Traditional Name: N,N-dimethyl-10-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]phenothiazine-2-sulfonamide Formula: C22H32N4O2S2+2 MolecularWeight: 448.64508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3/p+2