ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]amino]acetate Traditional Name: 2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]amino]acetic acid ethyl ester Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3/c1-2-27-19(25)15-21-20(26)24-10-6-9-18(16-24)23-13-11-22(12-14-23)17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,21,26)/p+1/t18-/m0/s1