3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide

Systemtic Name: 3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide CAS Name: 3-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-N-(2-phenylphenyl)propanamide IUPAC Name: 3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]-N-(2-phenylphenyl)propionamide Formula: C27H34N5O+ MolecularWeight: 444.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O/c1-20(2)27-28-21(3)19-25(30-27)32-17-15-31(16-18-32)14-13-26(33)29-24-12-8-7-11-23(24)22-9-5-4-6-10-22/h4-12,19-20H,13-18H2,1-3H3,(H,29,33)/p+1