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

Systemtic Name: N-(2-methoxyphenyl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Openeye Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: N-(2-methoxyphenyl)-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-methoxyphenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Traditional Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]-N-(2-methoxyphenyl)propionamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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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=C3OC

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H31N5O2/c1-16(2)22-23-17(3)15-20(25-22)27-13-11-26(12-14-27)10-9-21(28)24-18-7-5-6-8-19(18)29-4/h5-8,15-16H,9-14H2,1-4H3,(H,24,28)/p+1