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

Systemtic Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3OS/c1-11-5-6-14-15(8-11)21-16(18-14)19-7-3-4-13(19)10-17-9-12(2)20/h3-8,12,17,20H,9-10H2,1-2H3/p+1/t12-/m0/s1