ethyl 2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]amino]-2-oxo-acetate CAS Name: 2-[[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]amino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]amino]-2-oxoacetate Traditional Name: 2-keto-2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]amino]acetic acid ethyl ester Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-3-30-22(28)21(27)24-16-20(17-5-4-10-23-15-17)26-13-11-25(12-14-26)18-6-8-19(29-2)9-7-18/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,24,27)/p+1/t20-/m1/s1