methyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: methyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-methyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C21H22N3S+ MolecularWeight: 348.48448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3S/c1-16-10-11-19-20(13-16)25-21(22-19)24-12-6-9-18(24)15-23(2)14-17-7-4-3-5-8-17/h3-13H,14-15H2,1-2H3/p+1