[4-(2-adamantyl)piperazin-4-ium-1-yl]-(1,2,3-trimethylindol-5-yl)methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1,2,3-trimethylindol-5-yl)methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1,2,3-trimethylindol-5-yl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(1,2,3-trimethyl-5-indolyl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1,2,3-trimethylindol-5-yl)methanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1,2,3-trimethylindol-5-yl)methanone Formula: C26H36N3O+ MolecularWeight: 406.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)C4C5CC6CC(C5)CC4C6)C)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)C4C5CC6CC(C5)CC4C6)C)C

InChI

InChI=1S/C26H35N3O/c1-16-17(2)27(3)24-5-4-20(15-23(16)24)26(30)29-8-6-28(7-9-29)25-21-11-18-10-19(13-21)14-22(25)12-18/h4-5,15,18-19,21-22,25H,6-14H2,1-3H3/p+1