3-[1-(2-methoxyethyl)piperazin-1-ium-1-yl]propyl 2,3-bis(azanyl)benzoate

Systemtic Name: 3-[1-(2-methoxyethyl)piperazin-1-ium-1-yl]propyl 2,3-bis(azanyl)benzoate Openeye Name: 3-[1-(2-methoxyethyl)piperazin-1-ium-1-yl]propyl 2,3-diaminobenzoate CAS Name: 2,3-diaminobenzoic acid 3-[1-(2-methoxyethyl)-1-piperazin-1-iumyl]propyl ester IUPAC Name: 3-[1-(2-methoxyethyl)piperazin-1-ium-1-yl]propyl 2,3-diaminobenzoate Traditional Name: 2,3-diaminobenzoic acid 3-[1-(2-methoxyethyl)piperazin-1-ium-1-yl]propyl ester Formula: C17H29N4O3+ MolecularWeight: 337.43716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3/c1-23-13-11-21(9-6-20-7-10-21)8-3-12-24-17(22)14-4-2-5-15(18)16(14)19/h2,4-5,20H,3,6-13,18H2,1H3,(H-,19,22)/p+1