N-[2-(4-propan-2-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-propan-2-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-isopropylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(4-propan-2-ylphenyl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-propan-2-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-p-cumenylethyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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