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

Systemtic Name: [2-[1-[2-(4-aminophenyl)ethyl]-2-methyl-pyridin-1-ium-3-yl]-2-oxidanyl-ethyl]carbamic acid Openeye Name: [2-[1-[2-(4-aminophenyl)ethyl]-2-methyl-pyridin-1-ium-3-yl]-2-hydroxy-ethyl]carbamic acid CAS Name: [2-[1-[2-(4-aminophenyl)ethyl]-2-methyl-3-pyridin-1-iumyl]-2-hydroxyethyl]carbamic acid IUPAC Name: [2-[1-[2-(4-aminophenyl)ethyl]-2-methylpyridin-1-ium-3-yl]-2-hydroxyethyl]carbamic acid Traditional Name: [2-[1-[2-(4-aminophenyl)ethyl]-2-methyl-pyridin-1-ium-3-yl]-2-hydroxy-ethyl]carbamic acid Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=[N+]1CCC2=CC=C(C=C2)N)C(CNC(=O)O)O

Isomeric SMILES

CC1=C(C=CC=[N+]1CCC2=CC=C(C=C2)N)C(CNC(=O)O)O

InChI

InChI=1S/C17H21N3O3/c1-12-15(16(21)11-19-17(22)23)3-2-9-20(12)10-8-13-4-6-14(18)7-5-13/h2-7,9,16,19,21H,8,10-11,18H2,1H3/p+1