[3-[(2R)-1-(cyclobutylcarbonylamino)propan-2-yl]oxyphenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium

Systemtic Name: [3-[(2R)-1-(cyclobutylcarbonylamino)propan-2-yl]oxyphenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [3-[(1R)-2-(cyclobutanecarbonylamino)-1-methyl-ethoxy]phenyl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [3-[(2R)-1-[[cyclobutyl(oxo)methyl]amino]propan-2-yl]oxyphenyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [3-[(2R)-1-(cyclobutanecarbonylamino)propan-2-yl]oxyphenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [3-[(1R)-2-(cyclobutanecarbonylamino)-1-methyl-ethoxy]benzyl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1CCC1)OC2=CC=CC(=C2)C[NH+](C)CC3=NC=CN=C3

Isomeric SMILES

C[C@H](CNC(=O)C1CCC1)OC2=CC=CC(=C2)C[NH+](C)CC3=NC=CN=C3

InChI

InChI=1S/C21H28N4O2/c1-16(12-24-21(26)18-6-4-7-18)27-20-8-3-5-17(11-20)14-25(2)15-19-13-22-9-10-23-19/h3,5,8-11,13,16,18H,4,6-7,12,14-15H2,1-2H3,(H,24,26)/p+1/t16-/m1/s1