2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H30N5O+ MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1CCO)CC2=CC=CN2C3=NC=CC=N3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O/c1-17(2)6-11-24-13-12-23(15-18(24)7-14-26)16-19-5-3-10-25(19)20-21-8-4-9-22-20/h3-6,8-10,18,26H,7,11-16H2,1-2H3/p+1/t18-/m0/s1