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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H31N5O2/c1-15(2)21-23-16(3)14-20(25-21)27-12-10-26(11-13-27)17(4)22(28)24-18-8-6-7-9-19(18)29-5/h6-9,14-15,17H,10-13H2,1-5H3,(H,24,28)/p+1/t17-/m0/s1