butyl-(4-carbamimidoylphenyl)-[[3-(carboxymethyl)-3,4-dihydro-2H-chromen-2-yl]carbonyl]-methyl-azanium

Systemtic Name: butyl-(4-carbamimidoylphenyl)-[[3-(carboxymethyl)-3,4-dihydro-2H-chromen-2-yl]carbonyl]-methyl-azanium Openeye Name: butyl-(4-carbamimidoylphenyl)-[3-(carboxymethyl)chromane-2-carbonyl]-methyl-ammonium CAS Name: butyl-(4-carbamimidoylphenyl)-[[3-(carboxymethyl)-3,4-dihydro-2H-1-benzopyran-2-yl]-oxomethyl]-methylammonium IUPAC Name: butyl-(4-carbamimidoylphenyl)-[3-(carboxymethyl)-3,4-dihydro-2H-chromene-2-carbonyl]-methylazanium Traditional Name: (4-amidinophenyl)-butyl-[3-(carboxymethyl)chroman-2-carbonyl]-methyl-ammonium Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C1=CC=C(C=C1)C(=N)N)C(=O)C2C(CC3=CC=CC=C3O2)CC(=O)O

Isomeric SMILES

CCCC[N+](C)(C1=CC=C(C=C1)C(=N)N)C(=O)C2C(CC3=CC=CC=C3O2)CC(=O)O

InChI

InChI=1S/C24H29N3O4/c1-3-4-13-27(2,19-11-9-16(10-12-19)23(25)26)24(30)22-18(15-21(28)29)14-17-7-5-6-8-20(17)31-22/h5-12,18,22H,3-4,13-15H2,1-2H3,(H3-,25,26,28,29)/p+1