(5R)-3-but-2-ynyl-5-phenethyl-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione

Systemtic Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione Openeye Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione CAS Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-[[4-(1-pyrrolidinyl)phenyl]methyl]-4-piperidin-1-iumyl]imidazolidine-2,4-dione IUPAC Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione Traditional Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-(4-pyrrolidinobenzyl)piperidin-1-ium-4-yl]hydantoin Formula: C31H39N4O2+ MolecularWeight: 499.66696

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=O)C(NC1=O)(CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC#CCN1C(=O)[C@@](NC1=O)(CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C31H38N4O2/c1-2-3-21-35-29(36)31(32-30(35)37,18-15-25-9-5-4-6-10-25)27-16-22-33(23-17-27)24-26-11-13-28(14-12-26)34-19-7-8-20-34/h4-6,9-14,27H,7-8,15-24H2,1H3,(H,32,37)/p+1/t31-/m1/s1