ethyl 4-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-butylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(4-butylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-butylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(4-butylanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H29N3O3/c1-3-5-6-16-7-9-17(10-8-16)20-18(23)15-21-11-13-22(14-12-21)19(24)25-4-2/h7-10H,3-6,11-15H2,1-2H3,(H,20,23)/p+1