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4-[1-(aminomethyl)-2-oxidanylidene-pyrrolidin-1-ium-1-yl]-3-[bis(azanyl)methylideneamino]benzoic acid

4-[1-(aminomethyl)-2-oxidanylidene-pyrrolidin-1-ium-1-yl]-3-[bis(azanyl)methylideneamino]benzoic acid

Systemtic Name:4-[1-(aminomethyl)-2-oxidanylidene-pyrrolidin-1-ium-1-yl]-3-[bis(azanyl)methylideneamino]benzoic acid
Openeye Name:4-[1-(aminomethyl)-2-oxo-pyrrolidin-1-ium-1-yl]-3-guanidino-benzoic acid
CAS Name:4-[1-(aminomethyl)-2-oxo-1-pyrrolidin-1-iumyl]-3-(diaminomethylideneamino)benzoic acid
IUPAC Name:4-[1-(aminomethyl)-2-oxopyrrolidin-1-ium-1-yl]-3-(diaminomethylideneamino)benzoic acid
Traditional Name:4-[1-(aminomethyl)-2-keto-pyrrolidin-1-ium-1-yl]-3-guanidino-benzoic acid
Formula: C13H18N5O3+
MolecularWeight: 292.31372
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CN)C2=C(C=C(C=C2)C(=O)O)N=C(N)N


Isomeric SMILES

C1CC(=O)[N+](C1)(CN)C2=C(C=C(C=C2)C(=O)O)N=C(N)N


InChI

InChI=1S/C13H17N5O3/c14-7-18(5-1-2-11(18)19)10-4-3-8(12(20)21)6-9(10)17-13(15)16/h3-4,6H,1-2,5,7,14H2,(H4-,15,16,17,20,21)/p+1


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