methyl 3-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-3-piperidin-4-yl-imidazolidin-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-3-piperidin-4-yl-imidazolidin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[1-(4-carbamimidoylphenyl)-2-oxo-3-(4-piperidyl)imidazolidin-1-ium-1-yl]propanoate CAS Name: 3-[1-(4-carbamimidoylphenyl)-2-oxo-3-(4-piperidinyl)-1-imidazolidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidin-4-ylimidazolidin-1-ium-1-yl]propanoate Traditional Name: 3-[1-(4-amidinophenyl)-2-keto-3-(4-piperidyl)imidazolidin-1-ium-1-yl]propionic acid methyl ester Formula: C19H28N5O3+ MolecularWeight: 374.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[N+]1(CCN(C1=O)C2CCNCC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC[N+]1(CCN(C1=O)C2CCNCC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H28N5O3/c1-27-17(25)8-12-24(16-4-2-14(3-5-16)18(20)21)13-11-23(19(24)26)15-6-9-22-10-7-15/h2-5,15,22H,6-13H2,1H3,(H3,20,21)/q+1