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

Systemtic Name: ethyl 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]amino]acetate CAS Name: 2-[[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]amino]acetate Traditional Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]amino]acetic acid ethyl ester Formula: C21H33N4O4+ MolecularWeight: 405.51112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4/c1-3-29-20(26)15-22-21(27)25-10-4-5-18(16-25)24-13-11-23(12-14-24)17-6-8-19(28-2)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3,(H,22,27)/p+1/t18-/m0/s1