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

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

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

Isomeric SMILES

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

InChI

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