ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-1-ium-1-yl]carbamoylamino]propanoate

Systemtic Name: ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-1-ium-1-yl]carbamoylamino]propanoate Openeye Name: ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-1-ium-1-yl]carbamoylamino]propanoate CAS Name: 3-[[[[1-(4-carbamimidoylphenyl)-2-oxo-1-pyrrolidin-1-iumyl]amino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-1-ium-1-yl]carbamoylamino]propanoate Traditional Name: 3-[[1-(4-amidinophenyl)-2-keto-pyrrolidin-1-ium-1-yl]carbamoylamino]propionic acid ethyl ester Formula: C17H24N5O4+ MolecularWeight: 362.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N[N+]1(CCCC1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CCNC(=O)N[N+]1(CCCC1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H23N5O4/c1-2-26-15(24)9-10-20-17(25)21-22(11-3-4-14(22)23)13-7-5-12(6-8-13)16(18)19/h5-8H,2-4,9-11H2,1H3,(H4-,18,19,20,21,25)/p+1