(2-azanyl-2-oxidanylidene-ethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: (2-amino-2-oxo-ethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (2-amino-2-oxoethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: (2-amino-2-keto-ethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C15H17N4OS+ MolecularWeight: 301.38668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4OS/c1-10-4-5-12-13(7-10)21-15(18-12)19-6-2-3-11(19)8-17-9-14(16)20/h2-7,17H,8-9H2,1H3,(H2,16,20)/p+1