3-(1-methylpiperazin-1-ium-1-yl)propyl 2,4-bis(azanyl)benzoate

Systemtic Name: 3-(1-methylpiperazin-1-ium-1-yl)propyl 2,4-bis(azanyl)benzoate Openeye Name: 3-(1-methylpiperazin-1-ium-1-yl)propyl 2,4-diaminobenzoate CAS Name: 2,4-diaminobenzoic acid 3-(1-methyl-1-piperazin-1-iumyl)propyl ester IUPAC Name: 3-(1-methylpiperazin-1-ium-1-yl)propyl 2,4-diaminobenzoate Traditional Name: 2,4-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=C(C=C2)N)N

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O2/c1-19(8-5-18-6-9-19)7-2-10-21-15(20)13-4-3-12(16)11-14(13)17/h3-4,11,18H,2,5-10H2,1H3,(H3-,16,17,20)/p+1