2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-1-pyrrolyl]-6-methyl-1,3-benzothiazole IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole Formula: C19H24N3S+ MolecularWeight: 326.47896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCCCCC4

InChI

InChI=1S/C19H23N3S/c1-15-8-9-17-18(13-15)23-19(20-17)22-12-6-7-16(22)14-21-10-4-2-3-5-11-21/h6-9,12-13H,2-5,10-11,14H2,1H3/p+1