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

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

CCCC[NH2+]CC1=CC=CN1C2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCC[NH2+]CC1=CC=CN1C2=NC3=C(S2)C=C(C=C3)C

InChI

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