[azanyl-[1-[(2S)-butan-2-yl]indol-3-yl]sulfanyl-methylidene]azanium

Systemtic Name: [azanyl-[1-[(2S)-butan-2-yl]indol-3-yl]sulfanyl-methylidene]azanium Openeye Name: [amino-[1-[(1S)-1-methylpropyl]indol-3-yl]sulfanyl-methylene]ammonium CAS Name: [amino-[[1-[(2S)-butan-2-yl]-3-indolyl]thio]methylidene]ammonium IUPAC Name: [amino-[1-[(2S)-butan-2-yl]indol-3-yl]sulfanylmethylidene]azanium Traditional Name: [amino-[[1-[(1S)-1-methylpropyl]indol-3-yl]thio]methylene]ammonium Formula: C13H18N3S+ MolecularWeight: 248.36712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C2=CC=CC=C21)SC(=[NH2+])N

Isomeric SMILES

CC[C@H](C)N1C=C(C2=CC=CC=C21)SC(=[NH2+])N

InChI

InChI=1S/C13H17N3S/c1-3-9(2)16-8-12(17-13(14)15)10-6-4-5-7-11(10)16/h4-9H,3H2,1-2H3,(H3,14,15)/p+1/t9-/m0/s1