ethyl 4-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1S)-2-[ethyl(1-naphthyl)amino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-1-[ethyl(1-naphthalenyl)amino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1S)-2-[ethyl(1-naphthyl)amino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H30N3O3+ MolecularWeight: 384.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C(C)[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)[C@H](C)[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H29N3O3/c1-4-25(20-12-8-10-18-9-6-7-11-19(18)20)21(26)17(3)23-13-15-24(16-14-23)22(27)28-5-2/h6-12,17H,4-5,13-16H2,1-3H3/p+1/t17-/m0/s1