(6S)-2-azanyl-6-tert-butyl-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: (6S)-2-azanyl-6-tert-butyl-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: (6S)-2-amino-6-tert-butyl-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: (6S)-2-amino-6-tert-butyl-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: (6S)-2-amino-6-tert-butyl-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: (6S)-2-amino-6-tert-butyl-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2/c1-20(2,3)13-6-9-17-15(10-13)18(16(11-21)19(22)23-17)12-4-7-14(8-5-12)24(25)26/h4-5,7-8,13H,6,9-10H2,1-3H3,(H2,22,23)/p+1/t13-/m0/s1