6-[[(S)-(2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]pyridine-3-carbonitrile

Systemtic Name: 6-[[(S)-(2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]pyridine-3-carbonitrile Openeye Name: 6-[[(S)-(2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]pyridine-3-carbonitrile CAS Name: 6-[[(S)-(2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]-3-pyridinecarbonitrile IUPAC Name: 6-[[(S)-(2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]pyridine-3-carbonitrile Traditional Name: 6-[[(S)-(2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]nicotinonitrile Formula: C18H18N5O+ MolecularWeight: 320.36842

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC=CC=C2OC)NC3=NC=C(C=C3)C#N

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC=CC=C2OC)NC3=NC=C(C=C3)C#N

InChI

InChI=1S/C18H17N5O/c1-23-10-9-20-18(23)17(14-5-3-4-6-15(14)24-2)22-16-8-7-13(11-19)12-21-16/h3-10,12,17H,1-2H3,(H,21,22)/p+1/t17-/m0/s1