N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-[4-(5-propyl-2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-p-cumenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H31N5O/c1-4-5-18-14-23-22(24-15-18)27-12-10-26(11-13-27)16-21(28)25-20-8-6-19(7-9-20)17(2)3/h6-9,14-15,17H,4-5,10-13,16H2,1-3H3,(H,25,28)/p+1