ethyl 4-[2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H30N5O4+ MolecularWeight: 404.4833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2C(=O)NCC[NH+]2CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CN=CC=C3

InChI

InChI=1S/C20H29N5O4/c1-2-29-20(28)24-9-5-16(6-10-24)23-18(26)12-17-19(27)22-8-11-25(17)14-15-4-3-7-21-13-15/h3-4,7,13,16-17H,2,5-6,8-12,14H2,1H3,(H,22,27)(H,23,26)/p+1/t17-/m1/s1