1,4-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzo[e][1,3]benzothiazol-1-ium-5-ol

Systemtic Name: 1,4-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzo[e][1,3]benzothiazol-1-ium-5-ol Openeye Name: 1,4-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzo[e][1,3]benzothiazol-1-ium-5-ol CAS Name: 1,4-dimethyl-2-[3-(4-methyl-1-piperazinyl)propylamino]-5-benzo[e][1,3]benzothiazol-1-iumol IUPAC Name: 1,4-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzo[e][1,3]benzothiazol-1-ium-5-ol Traditional Name: 1,4-dimethyl-2-[3-(4-methylpiperazino)propylamino]benzo[e][1,3]benzothiazol-1-ium-5-ol Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3C)NCCCN4CCN(CC4)C)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3C)NCCCN4CCN(CC4)C)O

InChI

InChI=1S/C21H28N4OS/c1-15-19(26)17-8-5-4-7-16(17)18-20(15)27-21(24(18)3)22-9-6-10-25-13-11-23(2)12-14-25/h4-5,7-8,26H,6,9-14H2,1-3H3/p+1