diethyl-[2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethyl]azanium Openeye Name: 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethyl]azanium Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]ethyl-diethyl-ammonium Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

Isomeric SMILES

CC[NH+](CC)CCSC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

InChI

InChI=1S/C19H24N4OS/c1-4-11-23-18(24)17-16(14-9-7-8-10-15(14)20-17)21-19(23)25-13-12-22(5-2)6-3/h4,7-10,20H,1,5-6,11-13H2,2-3H3/p+1