(5S)-5-[1-[(5-ethyl-1,2-oxazol-3-yl)carbonyl]piperidin-4-yl]-5-(phenylmethyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazolidine-2,4-dione

Systemtic Name: (5S)-5-[1-[(5-ethyl-1,2-oxazol-3-yl)carbonyl]piperidin-4-yl]-5-(phenylmethyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazolidine-2,4-dione Openeye Name: (5S)-5-benzyl-5-[1-(5-ethylisoxazole-3-carbonyl)-4-piperidyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazolidine-2,4-dione CAS Name: (5S)-5-[1-[(5-ethyl-3-isoxazolyl)-oxomethyl]-4-piperidinyl]-5-(phenylmethyl)-3-[2-(1-pyrrolidin-1-iumyl)ethyl]imidazolidine-2,4-dione IUPAC Name: (5S)-5-benzyl-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazolidine-2,4-dione Traditional Name: (5S)-5-benzyl-5-[1-(5-ethylisoxazole-3-carbonyl)-4-piperidyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)hydantoin Formula: C27H36N5O4+ MolecularWeight: 494.60584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NO1)C(=O)N2CCC(CC2)C3(C(=O)N(C(=O)N3)CC[NH+]4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=NO1)C(=O)N2CCC(CC2)[C@]3(C(=O)N(C(=O)N3)CC[NH+]4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H35N5O4/c1-2-22-18-23(29-36-22)24(33)31-14-10-21(11-15-31)27(19-20-8-4-3-5-9-20)25(34)32(26(35)28-27)17-16-30-12-6-7-13-30/h3-5,8-9,18,21H,2,6-7,10-17,19H2,1H3,(H,28,35)/p+1/t27-/m0/s1