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

Systemtic Name: 2-azanyl-4-(4-dimethylaminophenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-dimethylaminophenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-dimethylaminophenyl)-5-methyl-6-[(2S)-2-methylbutyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(4-dimethylaminophenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-dimethylaminophenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile Formula: C20H27N4+ MolecularWeight: 323.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4/c1-6-13(2)11-18-14(3)19(17(12-21)20(22)23-18)15-7-9-16(10-8-15)24(4)5/h7-10,13H,6,11H2,1-5H3,(H2,22,23)/p+1/t13-/m0/s1