[4-(2-adamantyl)piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C25H31N2O+ MolecularWeight: 375.52644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C25H30N2O/c28-25(23-7-3-5-19-4-1-2-6-22(19)23)27-10-8-26(9-11-27)24-20-13-17-12-18(15-20)16-21(24)14-17/h1-7,17-18,20-21,24H,8-16H2/p+1