1-adamantylmethyl-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1-adamantylmethyl-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1-adamantylmethyl-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: 1-adamantylmethyl-[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: 1-adamantylmethyl-[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]azanium Traditional Name: 1-adamantylmethyl-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]ammonium Formula: C25H40NO3+ MolecularWeight: 402.59

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(C[NH2+]CC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@H](C[NH2+]CC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C25H39NO3/c1-24(2,3)22-10-21(28-4)5-6-23(22)29-15-20(27)14-26-16-25-11-17-7-18(12-25)9-19(8-17)13-25/h5-6,10,17-20,26-27H,7-9,11-16H2,1-4H3/p+1/t17?,18?,19?,20-,25?/m0/s1