[(4S)-4-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[[[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium Traditional Name: diethyl-[(4S)-4-[[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]carbamoylamino]pentyl]ammonium Formula: C22H37N4O3+ MolecularWeight: 405.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)NC1CC(=O)N(C1)C2=CC=C(C=C2)OCC

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)N[C@H]1CC(=O)N(C1)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H36N4O3/c1-5-25(6-2)14-8-9-17(4)23-22(28)24-18-15-21(27)26(16-18)19-10-12-20(13-11-19)29-7-3/h10-13,17-18H,5-9,14-16H2,1-4H3,(H2,23,24,28)/p+1/t17-,18-/m0/s1