2-[1-[4-(4-carbamimidoylphenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxyethanoate hydrochloride

Systemtic Name: 2-[1-[4-(4-carbamimidoylphenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxyethanoate hydrochloride Openeye Name: 2-[[1-[4-(4-carbamimidoylphenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl]oxy]acetate hydrochloride CAS Name: 2-[[1-[4-(4-carbamimidoylphenyl)-2-methyl-1,4-dioxobutyl]-4-piperidinyl]oxy]acetate hydrochloride IUPAC Name: 2-[1-[4-(4-carbamimidoylphenyl)-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetate hydrochloride Traditional Name: 2-[[1-[4-(4-amidinophenyl)-4-keto-2-methyl-butanoyl]-4-piperidyl]oxy]acetate hydrochloride Formula: C19H25ClN3O5- MolecularWeight: 410.8719

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C(=N)N)C(=O)N2CCC(CC2)OCC(=O)[O-].Cl

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C(=N)N)C(=O)N2CCC(CC2)OCC(=O)[O-].Cl

InChI

InChI=1S/C19H25N3O5.ClH/c1-12(10-16(23)13-2-4-14(5-3-13)18(20)21)19(26)22-8-6-15(7-9-22)27-11-17(24)25;/h2-5,12,15H,6-11H2,1H3,(H3,20,21)(H,24,25);1H/p-1