N-cycloheptyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cycloheptyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cycloheptyl-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cycloheptyl-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cycloheptyl-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H36N5O+ MolecularWeight: 374.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3CCCCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H35N5O/c1-16(2)21-22-17(3)14-19(24-21)26-12-10-25(11-13-26)15-20(27)23-18-8-6-4-5-7-9-18/h14,16,18H,4-13,15H2,1-3H3,(H,23,27)/p+1