(2R)-4-[(4-butylphenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-butylphenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-butylanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-butylanilino)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-butylanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(4-butylanilino)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)butyrate Formula: C19H29N3O3 MolecularWeight: 347.45186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-3-4-5-15-6-8-16(9-7-15)20-18(23)14-17(19(24)25)22-12-10-21(2)11-13-22/h6-9,17H,3-5,10-14H2,1-2H3,(H,20,23)(H,24,25)/t17-/m1/s1