2-[2-(4-carbamimidoylphenyl)-1-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoic acid

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)-1-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoic acid Openeye Name: 2-[2-(4-carbamimidoylphenyl)-1-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid CAS Name: 2-[2-(4-carbamimidoylphenyl)-1-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid IUPAC Name: 2-[2-(4-carbamimidoylphenyl)-1-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid Traditional Name: 2-[2-(4-amidinophenyl)-1-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C2=CC=CC=C2CC[N+]1(CC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CNC(=O)C1C2=CC=CC=C2CC[N+]1(CC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N4O3/c1-23-20(27)18-16-5-3-2-4-13(16)10-11-24(18,12-17(25)26)15-8-6-14(7-9-15)19(21)22/h2-9,18H,10-12H2,1H3,(H4-,21,22,23,25,26,27)/p+1