[(2R)-3-[5-[(2-adamantylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[5-[(2-adamantylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-3-[5-[(2-adamantylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-3-[5-[(2-adamantylammonio)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-3-[5-[(2-adamantylazaniumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-3-[5-[(2-adamantylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium Formula: C25H42N2O3+2 MolecularWeight: 418.61258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OC)O

InChI

InChI=1S/C25H40N2O3/c1-16(2)27(3)14-22(28)15-30-24-12-17(5-6-23(24)29-4)13-26-25-20-8-18-7-19(10-20)11-21(25)9-18/h5-6,12,16,18-22,25-26,28H,7-11,13-15H2,1-4H3/p+2/t18?,19?,20?,21?,22-,25?/m1/s1