6-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridin-1-ium-3-carbonitrile CAS Name: 6-[[(S)-(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridin-1-ium-3-carbonitrile Formula: C17H15ClN5+ MolecularWeight: 324.7875

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC3=[NH+]C=C(C=C3)C#N

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=C(C=C2)Cl)NC3=[NH+]C=C(C=C3)C#N

InChI

InChI=1S/C17H14ClN5/c1-23-9-8-20-17(23)16(13-3-5-14(18)6-4-13)22-15-7-2-12(10-19)11-21-15/h2-9,11,16H,1H3,(H,21,22)/p+1/t16-/m0/s1