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

Systemtic Name: 3-(1-methylpiperazin-1-ium-1-yl)propyl 2,3-bis(azanyl)benzoate Openeye Name: 3-(1-methylpiperazin-1-ium-1-yl)propyl 2,3-diaminobenzoate CAS Name: 2,3-diaminobenzoic acid 3-(1-methyl-1-piperazin-1-iumyl)propyl ester IUPAC Name: 3-(1-methylpiperazin-1-ium-1-yl)propyl 2,3-diaminobenzoate Traditional Name: 2,3-diaminobenzoic acid 3-(1-methylpiperazin-1-ium-1-yl)propyl ester Formula: C15H25N4O2+ MolecularWeight: 293.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O2/c1-19(9-6-18-7-10-19)8-3-11-21-15(20)12-4-2-5-13(16)14(12)17/h2,4-5,18H,3,6-11,16H2,1H3,(H-,17,20)/p+1