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

Systemtic Name: tert-butyl-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: tert-butyl-[[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: tert-butyl-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrrolyl]methyl]ammonium IUPAC Name: tert-butyl-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: tert-butyl-[[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C18H24N3S+ MolecularWeight: 314.46826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3S/c1-18(2,3)20-12-13-7-6-10-21(13)17-15(11-19)14-8-4-5-9-16(14)22-17/h6-7,10,20H,4-5,8-9,12H2,1-3H3/p+1