2-azanyl-5-methyl-6-[(2S)-2-methylbutyl]-4-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-5-methyl-6-[(2S)-2-methylbutyl]-4-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-5-methyl-6-[(2S)-2-methylbutyl]-4-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-5-methyl-6-[(2S)-2-methylbutyl]-4-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-5-methyl-6-[(2S)-2-methylbutyl]-4-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-5-methyl-6-[(2S)-2-methylbutyl]-4-phenyl-pyridin-1-ium-3-carbonitrile Formula: C18H22N3+ MolecularWeight: 280.38738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2)C

Isomeric SMILES

CC[C@H](C)CC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2)C

InChI

InChI=1S/C18H21N3/c1-4-12(2)10-16-13(3)17(14-8-6-5-7-9-14)15(11-19)18(20)21-16/h5-9,12H,4,10H2,1-3H3,(H2,20,21)/p+1/t12-/m0/s1