N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C24H35ClN5O+ MolecularWeight: 445.0206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C24H34ClN5O/c1-6-18-8-9-20(25)19(7-2)23(18)28-22(31)15-29-10-12-30(13-11-29)21-14-17(5)26-24(27-21)16(3)4/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,28,31)/p+1