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

Systemtic Name: 2-azanyl-4-(2-methoxyphenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(2-methoxyphenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(2-methoxyphenyl)-5-methyl-6-[(2S)-2-methylbutyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(2-methoxyphenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(2-methoxyphenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile Formula: C19H24N3O+ MolecularWeight: 310.41336

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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=C2OC)C

Isomeric SMILES

CC[C@H](C)CC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2OC)C

InChI

InChI=1S/C19H23N3O/c1-5-12(2)10-16-13(3)18(15(11-20)19(21)22-16)14-8-6-7-9-17(14)23-4/h6-9,12H,5,10H2,1-4H3,(H2,21,22)/p+1/t12-/m0/s1