(6S)-2-azanyl-4-(2-chlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: (6S)-2-azanyl-4-(2-chlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: (6S)-2-amino-4-(2-chlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: (6S)-2-amino-4-(2-chlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: (6S)-2-amino-4-(2-chlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: (6S)-2-amino-4-(2-chlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C18H19ClN3+ MolecularWeight: 312.81656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H18ClN3/c1-2-11-7-8-16-13(9-11)17(14(10-20)18(21)22-16)12-5-3-4-6-15(12)19/h3-6,11H,2,7-9H2,1H3,(H2,21,22)/p+1/t11-/m0/s1