2-[1-azanyl-2-[N'-(furan-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoyl benzoate

Systemtic Name: 2-[1-azanyl-2-[N'-(furan-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoyl benzoate Openeye Name: [2-[1-amino-2-[N'-(2-furylmethyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetyl] benzoate CAS Name: benzoic acid [2-[1-amino-2-[amino(2-furanylmethylimino)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-1-oxoethyl] ester IUPAC Name: [2-[1-amino-2-[N'-(furan-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetyl] benzoate Traditional Name: benzoic acid [2-[1-amino-2-[N'-(2-furfuryl)amidino]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetyl] ester Formula: C24H25N4O4+ MolecularWeight: 433.4797

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(C2=CC=CC=C21)N)(CC(=O)OC(=O)C3=CC=CC=C3)C(=NCC4=CC=CO4)N

Isomeric SMILES

C1C[N+](C(C2=CC=CC=C21)N)(CC(=O)OC(=O)C3=CC=CC=C3)C(=NCC4=CC=CO4)N

InChI

InChI=1S/C24H25N4O4/c25-22-20-11-5-4-7-17(20)12-13-28(22,24(26)27-15-19-10-6-14-31-19)16-21(29)32-23(30)18-8-2-1-3-9-18/h1-11,14,22H,12-13,15-16,25H2,(H2,26,27)/q+1