2-(1-methylpiperazin-1-ium-1-yl)ethyl 2,3-bis(azanyl)benzoate

Systemtic Name: 2-(1-methylpiperazin-1-ium-1-yl)ethyl 2,3-bis(azanyl)benzoate Openeye Name: 2-(1-methylpiperazin-1-ium-1-yl)ethyl 2,3-diaminobenzoate CAS Name: 2,3-diaminobenzoic acid 2-(1-methyl-1-piperazin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpiperazin-1-ium-1-yl)ethyl 2,3-diaminobenzoate Traditional Name: 2,3-diaminobenzoic acid 2-(1-methylpiperazin-1-ium-1-yl)ethyl ester Formula: C14H23N4O2+ MolecularWeight: 279.35802

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCOC(=O)C2=C(C(=CC=C2)N)N

Isomeric SMILES

C[N+]1(CCNCC1)CCOC(=O)C2=C(C(=CC=C2)N)N

InChI

InChI=1S/C14H22N4O2/c1-18(7-5-17-6-8-18)9-10-20-14(19)11-3-2-4-12(15)13(11)16/h2-4,17H,5-10,15H2,1H3,(H-,16,19)/p+1