2-[(4S)-4-(1-but-2-ynoylpiperidin-4-yl)-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4S)-4-(1-but-2-ynoylpiperidin-4-yl)-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4S)-4-(1-but-2-ynoyl-4-piperidyl)-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4S)-2,5-dioxo-4-[1-(1-oxobut-2-ynyl)-4-piperidinyl]-4-phenethyl-1-imidazolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(4S)-4-(1-but-2-ynoylpiperidin-4-yl)-2,5-dioxo-4-phenethylimidazolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(4S)-4-(1-but-2-ynoyl-4-piperidyl)-2,5-diketo-4-phenethyl-imidazolidin-1-yl]ethyl-dimethyl-ammonium Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)C2(C(=O)N(C(=O)N2)CC[NH+](C)C)CCC3=CC=CC=C3

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)[C@]2(C(=O)N(C(=O)N2)CC[NH+](C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O3/c1-4-8-21(29)27-15-12-20(13-16-27)24(14-11-19-9-6-5-7-10-19)22(30)28(23(31)25-24)18-17-26(2)3/h5-7,9-10,20H,11-18H2,1-3H3,(H,25,31)/p+1/t24-/m0/s1