(2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-(naphthalen-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-(naphthalen-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-(2-naphthylamino)-4-oxo-butanoate CAS Name: (2R)-2-(4-methyl-1-piperazin-1-iumyl)-4-(2-naphthalenylamino)-4-oxobutanoate IUPAC Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-(naphthalen-2-ylamino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)-4-(2-naphthylamino)butyrate Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)[C@H](CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

InChI

InChI=1S/C19H23N3O3/c1-21-8-10-22(11-9-21)17(19(24)25)13-18(23)20-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3,(H,20,23)(H,24,25)/t17-/m1/s1