2-[7-[(4-carbamimidoylphenyl)carbonylamino]-2-propyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-2-propyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-2-propyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-propyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-2-propyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-2-propyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CCC[N+]1(CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C22H26N4O3/c1-2-10-26(14-20(27)28)11-9-15-7-8-19(12-18(15)13-26)25-22(29)17-5-3-16(4-6-17)21(23)24/h3-8,12H,2,9-11,13-14H2,1H3,(H4-,23,24,25,27,28,29)/p+1