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

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-5-methyl-6-[(2S)-2-methylbutyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-bromophenyl)-5-methyl-6-[(2S)-2-methylbutyl]pyridin-1-ium-3-carbonitrile Formula: C18H21BrN3+ MolecularWeight: 359.28344

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3/c1-4-11(2)8-16-12(3)17(15(10-20)18(21)22-16)13-6-5-7-14(19)9-13/h5-7,9,11H,4,8H2,1-3H3,(H2,21,22)/p+1/t11-/m0/s1