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

Systemtic Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-propyl-azanium Openeye Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-propyl-ammonium CAS Name: [1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl-propylammonium IUPAC Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-propylazanium Traditional Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-propyl-ammonium Formula: C16H20N3S+ MolecularWeight: 286.4151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3S/c1-3-8-17-11-13-5-4-9-19(13)16-18-14-7-6-12(2)10-15(14)20-16/h4-7,9-10,17H,3,8,11H2,1-2H3/p+1