(2S)-1-(1-adamantylmethoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(1-adamantylmethoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1-adamantylmethoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1-adamantylmethoxy)-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(1-adamantylmethoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1-adamantylmethoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C19H35N2O2+ MolecularWeight: 323.4934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](COCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C19H34N2O2/c1-20-2-4-21(5-3-20)12-18(22)13-23-14-19-9-15-6-16(10-19)8-17(7-15)11-19/h15-18,22H,2-14H2,1H3/p+1/t15?,16?,17?,18-,19?/m0/s1