[2-[1-[2-(4-aminophenyl)ethyl]pyridin-1-ium-3-yl]-2-oxidanyl-ethyl]carbamic acid

Systemtic Name: [2-[1-[2-(4-aminophenyl)ethyl]pyridin-1-ium-3-yl]-2-oxidanyl-ethyl]carbamic acid Openeye Name: [2-[1-[2-(4-aminophenyl)ethyl]pyridin-1-ium-3-yl]-2-hydroxy-ethyl]carbamic acid CAS Name: [2-[1-[2-(4-aminophenyl)ethyl]-3-pyridin-1-iumyl]-2-hydroxyethyl]carbamic acid IUPAC Name: [2-[1-[2-(4-aminophenyl)ethyl]pyridin-1-ium-3-yl]-2-hydroxyethyl]carbamic acid Traditional Name: [2-[1-[2-(4-aminophenyl)ethyl]pyridin-1-ium-3-yl]-2-hydroxy-ethyl]carbamic acid Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c17-14-5-3-12(4-6-14)7-9-19-8-1-2-13(11-19)15(20)10-18-16(21)22/h1-6,8,11,15,18,20H,7,9-10,17H2/p+1