(2S)-N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanamide

Systemtic Name: (2S)-N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanamide Openeye Name: (2S)-N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanamide CAS Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butanamide IUPAC Name: (2S)-N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanamide Traditional Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyramide Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H25N5O2/c1-3-17(18(25)22-15-5-7-16(26-2)8-6-15)23-11-13-24(14-12-23)19-20-9-4-10-21-19/h4-10,17H,3,11-14H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1