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

Systemtic Name: tert-butyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: tert-butyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: tert-butyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]ammonium IUPAC Name: tert-butyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: tert-butyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C17H22N3S+ MolecularWeight: 300.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH2+]C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH2+]C(C)(C)C

InChI

InChI=1S/C17H21N3S/c1-12-7-8-14-15(10-12)21-16(19-14)20-9-5-6-13(20)11-18-17(2,3)4/h5-10,18H,11H2,1-4H3/p+1