(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-piperonyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O3/c1-14(23-7-9-24(10-8-23)19-20-5-2-6-21-19)18(25)22-12-15-3-4-16-17(11-15)27-13-26-16/h2-6,11,14H,7-10,12-13H2,1H3,(H,22,25)/p+1/t14-/m0/s1