8-(2-adamantyl)-2-(2-methylpropyl)-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 8-(2-adamantyl)-2-(2-methylpropyl)-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 8-(2-adamantyl)-2-isobutyl-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-(2-adamantyl)-2-(2-methylpropyl)-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-(2-adamantyl)-2-(2-methylpropyl)-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 8-(2-adamantyl)-2-isobutyl-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C29H42N3O2+ MolecularWeight: 464.66268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2(CC[NH+](CC2)C3C4CC5CC(C4)CC3C5)N(C1=O)CCC6=CC=CC=C6

Isomeric SMILES

CC(C)CN1C(=O)C2(CC[NH+](CC2)C3C4CC5CC(C4)CC3C5)N(C1=O)CCC6=CC=CC=C6

InChI

InChI=1S/C29H41N3O2/c1-20(2)19-31-27(33)29(32(28(31)34)11-8-21-6-4-3-5-7-21)9-12-30(13-10-29)26-24-15-22-14-23(17-24)18-25(26)16-22/h3-7,20,22-26H,8-19H2,1-2H3/p+1