(2R)-1-[(3S)-3-methylpent-1-yn-3-yl]oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[(3S)-3-methylpent-1-yn-3-yl]oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[(1S)-1-ethyl-1-methyl-prop-2-ynoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[(3S)-3-methylpent-1-yn-3-yl]oxy-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[(3S)-3-methylpent-1-yn-3-yl]oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[(1S)-1-ethyl-1-methyl-prop-2-ynoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OCC(C[NH+]1CCN(CC1)C2=CC=CC=C2)O

Isomeric SMILES

CC[C@@](C)(C#C)OC[C@@H](C[NH+]1CCN(CC1)C2=CC=CC=C2)O

InChI

InChI=1S/C19H28N2O2/c1-4-19(3,5-2)23-16-18(22)15-20-11-13-21(14-12-20)17-9-7-6-8-10-17/h1,6-10,18,22H,5,11-16H2,2-3H3/p+1/t18-,19-/m1/s1