2-methyl-2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]propanamide

Systemtic Name: 2-methyl-2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]propanamide Openeye Name: 2-methyl-2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]propanamide CAS Name: 2-methyl-2-phenyl-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]propanamide IUPAC Name: 2-methyl-2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]propanamide Traditional Name: 2-methyl-2-phenyl-N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]propionamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-21(2,18-8-4-3-5-9-18)19(27)22-12-7-13-25-14-16-26(17-15-25)20-23-10-6-11-24-20/h3-6,8-11H,7,12-17H2,1-2H3,(H,22,27)/p+1