[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-(p-tolylmethyl)ammonium CAS Name: [1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-(4-methylbenzyl)ammonium Formula: C21H22N3S+ MolecularWeight: 348.48448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CC2=CC=CN2C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CC2=CC=CN2C3=NC4=C(S3)C=C(C=C4)C

InChI

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