[azanyl-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-methylidene]azanium

Systemtic Name: [azanyl-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-methylidene]azanium Openeye Name: [amino-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanyl-methylene]ammonium CAS Name: [amino-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]methylidene]ammonium IUPAC Name: [amino-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylmethylidene]azanium Traditional Name: [amino-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]methylene]ammonium Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SC(=[NH2+])N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SC(=[NH2+])N

InChI

InChI=1S/C17H22N4OS/c18-17(19)23-15-11-21(14-8-4-3-7-13(14)15)12-16(22)20-9-5-1-2-6-10-20/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H3,18,19)/p+1