methyl 3-azanyl-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-azanyl-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-amino-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-amino-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-amino-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C14H21N3O2/c1-3-16-6-8-17(9-7-16)13-5-4-11(10-12(13)15)14(18)19-2/h4-5,10H,3,6-9,15H2,1-2H3/p+1