(2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propionamide Formula: C22H31ClN5O2+ MolecularWeight: 432.96684

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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(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H30ClN5O2/c1-14(2)21-24-15(3)12-20(26-21)28-10-8-27(9-11-28)16(4)22(29)25-17-6-7-19(30-5)18(23)13-17/h6-7,12-14,16H,8-11H2,1-5H3,(H,25,29)/p+1/t16-/m0/s1