(1S)-1-(7-ethyl-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanol

Systemtic Name: (1S)-1-(7-ethyl-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanol Openeye Name: (1S)-1-(7-ethyl-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanol CAS Name: (1S)-1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: (1S)-1-(7-ethyl-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanol Traditional Name: (1S)-1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanol Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(C[NH+]3CCN(CC3)C4=NC=CC=N4)O

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2[C@@H](C[NH+]3CCN(CC3)C4=NC=CC=N4)O

InChI

InChI=1S/C20H25N5O/c1-2-15-5-3-6-16-17(13-23-19(15)16)18(26)14-24-9-11-25(12-10-24)20-21-7-4-8-22-20/h3-8,13,18,23,26H,2,9-12,14H2,1H3/p+1/t18-/m1/s1