1-[3-(dimethylamino)propyl]-4-methyl-2-phenylazanyl-benzo[e][1,3]benzothiazol-1-ium-5-ol

Systemtic Name: 1-[3-(dimethylamino)propyl]-4-methyl-2-phenylazanyl-benzo[e][1,3]benzothiazol-1-ium-5-ol Openeye Name: 2-anilino-1-[3-(dimethylamino)propyl]-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol CAS Name: 2-anilino-1-[3-(dimethylamino)propyl]-4-methyl-5-benzo[e][1,3]benzothiazol-1-iumol IUPAC Name: 2-anilino-1-[3-(dimethylamino)propyl]-4-methylbenzo[e][1,3]benzothiazol-1-ium-5-ol Traditional Name: 2-anilino-1-[3-(dimethylamino)propyl]-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3CCCN(C)C)NC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3CCCN(C)C)NC4=CC=CC=C4)O

InChI

InChI=1S/C23H25N3OS/c1-16-21(27)19-13-8-7-12-18(19)20-22(16)28-23(24-17-10-5-4-6-11-17)26(20)15-9-14-25(2)3/h4-8,10-13,27H,9,14-15H2,1-3H3/p+1