(2S)-2-(4-methylpentyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]morpholin-4-ium

Systemtic Name: (2S)-2-(4-methylpentyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]morpholin-4-ium Openeye Name: (2S)-2-isohexyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]morpholin-4-ium CAS Name: (2S)-2-(4-methylpentyl)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]morpholin-4-ium IUPAC Name: (2S)-2-(4-methylpentyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]morpholin-4-ium Traditional Name: (2S)-2-isohexyl-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]morpholin-4-ium Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1C[NH+](CCO1)CC2=CC=CN2C3=NC=CC=N3

Isomeric SMILES

CC(C)CCC[C@H]1C[NH+](CCO1)CC2=CC=CN2C3=NC=CC=N3

InChI

InChI=1S/C19H28N4O/c1-16(2)6-3-8-18-15-22(12-13-24-18)14-17-7-4-11-23(17)19-20-9-5-10-21-19/h4-5,7,9-11,16,18H,3,6,8,12-15H2,1-2H3/p+1/t18-/m0/s1