N-(3-chloranyl-4-methyl-phenyl)-4-(3-cyanopyridin-1-ium-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(3-cyanopyridin-1-ium-2-yl)piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(3-cyanopyridin-1-ium-2-yl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(3-cyano-2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(3-cyanopyridin-1-ium-2-yl)piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(3-cyanopyridin-1-ium-2-yl)piperazine-1-carboxamide Formula: C18H19ClN5O+ MolecularWeight: 356.82936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N)Cl

InChI

InChI=1S/C18H18ClN5O/c1-13-4-5-15(11-16(13)19)22-18(25)24-9-7-23(8-10-24)17-14(12-20)3-2-6-21-17/h2-6,11H,7-10H2,1H3,(H,22,25)/p+1