2-adamantylmethyl-[[4-methoxy-3-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-adamantylmethyl-[[4-methoxy-3-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-adamantylmethyl-[[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantylmethyl-[[3-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantylmethyl-[[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-adamantylmethyl-[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C26H42N2O3+2 MolecularWeight: 430.62328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2C3CC4CC(C3)CC2C4)OCC(C[NH+]5CCCC5)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2C3CC4CC(C3)CC2C4)OC[C@H](C[NH+]5CCCC5)O

InChI

InChI=1S/C26H40N2O3/c1-30-25-5-4-18(13-26(25)31-17-23(29)16-28-6-2-3-7-28)14-27-15-24-21-9-19-8-20(11-21)12-22(24)10-19/h4-5,13,19-24,27,29H,2-3,6-12,14-17H2,1H3/p+2/t19?,20?,21?,22?,23-,24?/m0/s1