phenyl 2-[1-aminocarbonyl-2-[N'-(furan-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: phenyl 2-[1-aminocarbonyl-2-[N'-(furan-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoate Openeye Name: phenyl 2-[1-carbamoyl-2-[N'-(2-furylmethyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[2-[amino(2-furanylmethylimino)methyl]-1-carbamoyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid phenyl ester IUPAC Name: phenyl 2-[1-carbamoyl-2-[N'-(furan-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[1-carbamoyl-2-[N'-(2-furfuryl)amidino]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid phenyl ester Formula: C24H25N4O4+ MolecularWeight: 433.4797

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(C2=CC=CC=C21)C(=O)N)(CC(=O)OC3=CC=CC=C3)C(=NCC4=CC=CO4)N

Isomeric SMILES

C1C[N+](C(C2=CC=CC=C21)C(=O)N)(CC(=O)OC3=CC=CC=C3)C(=NCC4=CC=CO4)N

InChI

InChI=1S/C24H24N4O4/c25-23(30)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)32-18-8-2-1-3-9-18/h1-11,14,22H,12-13,15-16H2,(H3-,25,26,27,30)/p+1