2-azanyl-4-(5-tert-butylthiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-tert-butylthiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-tert-butyl-2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-tert-butyl-2-thiophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-tert-butylthiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-tert-butyl-2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C18H22N3S+ MolecularWeight: 312.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N

InChI

InChI=1S/C18H21N3S/c1-18(2,3)15-9-8-14(22-15)16-11-6-4-5-7-13(11)21-17(20)12(16)10-19/h8-9H,4-7H2,1-3H3,(H2,20,21)/p+1