[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrol-2-yl]methyl-prop-2-enyl-azanium

Systemtic Name: [1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrol-2-yl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: [1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrrolyl]methyl-prop-2-enylammonium IUPAC Name: [1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrol-2-yl]methyl-prop-2-enylazanium Traditional Name: allyl-[[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C17H20N3S+ MolecularWeight: 298.4258

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]CC1=CC=CN1C2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C=CC[NH2+]CC1=CC=CN1C2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C17H19N3S/c1-2-9-19-12-13-6-5-10-20(13)17-15(11-18)14-7-3-4-8-16(14)21-17/h2,5-6,10,19H,1,3-4,7-9,12H2/p+1