(5S)-5-phenethyl-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione

Systemtic Name: (5S)-5-phenethyl-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione Openeye Name: (5S)-5-phenethyl-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione CAS Name: (5S)-5-phenethyl-5-[1-[[4-(1-pyrrolidinyl)phenyl]methyl]-4-piperidin-1-iumyl]imidazolidine-2,4-dione IUPAC Name: (5S)-5-phenethyl-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione Traditional Name: (5S)-5-phenethyl-5-[1-(4-pyrrolidinobenzyl)piperidin-1-ium-4-yl]hydantoin Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)C4(C(=O)NC(=O)N4)CCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)[C@]4(C(=O)NC(=O)N4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O2/c32-25-27(29-26(33)28-25,15-12-21-6-2-1-3-7-21)23-13-18-30(19-14-23)20-22-8-10-24(11-9-22)31-16-4-5-17-31/h1-3,6-11,23H,4-5,12-20H2,(H2,28,29,32,33)/p+1/t27-/m0/s1