3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione Openeye Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-5,5-diphenylimidazolidine-2,4-dione IUPAC Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione Traditional Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5,5-diphenyl-hydantoin Formula: C28H35N4O3+ MolecularWeight: 475.6025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N4O3/c33-25(31-17-9-1-2-10-18-31)22-15-19-30(20-16-22)21-32-26(34)28(29-27(32)35,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,22H,1-2,9-10,15-21H2,(H,29,35)/p+1