[2-[1-(1-adamantyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-[1-(1-adamantyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-(1-adamantyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-(1-adamantyl)-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-(1-adamantyl)piperidin-1-ium-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(1-adamantyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C27H39N2O3+ MolecularWeight: 439.61016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H38N2O3/c1-31-23-4-5-24(26(30)28-8-2-3-9-28)25(15-23)32-22-6-10-29(11-7-22)27-16-19-12-20(17-27)14-21(13-19)18-27/h4-5,15,19-22H,2-3,6-14,16-18H2,1H3/p+1