ethyl 3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]amino]propanoate Traditional Name: 3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]amino]propionic acid ethyl ester Formula: C21H33N4O3+ MolecularWeight: 389.51172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCNC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H32N4O3/c1-2-28-20(26)10-11-22-21(27)25-12-6-9-19(17-25)24-15-13-23(14-16-24)18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,22,27)/p+1/t19-/m0/s1