[2-[1-[2-(4-aminophenyl)ethyl]-6-cyano-pyridin-1-ium-2-yl]-2-oxidanyl-ethyl]carbamic acid

Systemtic Name: [2-[1-[2-(4-aminophenyl)ethyl]-6-cyano-pyridin-1-ium-2-yl]-2-oxidanyl-ethyl]carbamic acid Openeye Name: [2-[1-[2-(4-aminophenyl)ethyl]-6-cyano-pyridin-1-ium-2-yl]-2-hydroxy-ethyl]carbamic acid CAS Name: [2-[1-[2-(4-aminophenyl)ethyl]-6-cyano-2-pyridin-1-iumyl]-2-hydroxyethyl]carbamic acid IUPAC Name: [2-[1-[2-(4-aminophenyl)ethyl]-6-cyanopyridin-1-ium-2-yl]-2-hydroxyethyl]carbamic acid Traditional Name: [2-[1-[2-(4-aminophenyl)ethyl]-6-cyano-pyridin-1-ium-2-yl]-2-hydroxy-ethyl]carbamic acid Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=[N+](C(=C1)C(CNC(=O)O)O)CCC2=CC=C(C=C2)N)C#N

Isomeric SMILES

C1=CC(=[N+](C(=C1)C(CNC(=O)O)O)CCC2=CC=C(C=C2)N)C#N

InChI

InChI=1S/C17H18N4O3/c18-10-14-2-1-3-15(16(22)11-20-17(23)24)21(14)9-8-12-4-6-13(19)7-5-12/h1-7,16,20,22H,8-9,11,19H2/p+1