[4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-methoxynaphthalen-2-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-methoxynaphthalen-2-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-methoxy-2-naphthyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(3-methoxy-2-naphthalenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-methoxynaphthalen-2-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-methoxy-2-naphthyl)methanone Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H32N2O2/c1-30-24-14-22-5-3-2-4-21(22)13-23(24)25(29)27-6-8-28(9-7-27)26-15-18-10-19(16-26)12-20(11-18)17-26/h2-5,13-14,18-20H,6-12,15-17H2,1H3/p+1