1-adamantylmethyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: 1-adamantylmethyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]azanium Openeye Name: 1-adamantylmethyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxy-propyl]ammonium CAS Name: 1-adamantylmethyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]ammonium IUPAC Name: 1-adamantylmethyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]azanium Traditional Name: 1-adamantylmethyl-[(2S)-2-hydroxy-3-veratryloxy-propyl]ammonium Formula: C23H36NO4+ MolecularWeight: 390.53624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COCC(C[NH2+]CC23CC4CC(C2)CC(C4)C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC[C@H](C[NH2+]CC23CC4CC(C2)CC(C4)C3)O)OC

InChI

InChI=1S/C23H35NO4/c1-26-21-4-3-16(8-22(21)27-2)13-28-14-20(25)12-24-15-23-9-17-5-18(10-23)7-19(6-17)11-23/h3-4,8,17-20,24-25H,5-7,9-15H2,1-2H3/p+1/t17?,18?,19?,20-,23?/m0/s1