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

Systemtic Name: (2S)-N-ethyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-N-ethyl-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-N-ethyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-benzyl-N-ethyl-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propionamide Formula: C24H36N5O+ MolecularWeight: 410.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C24H35N5O/c1-6-27(17-21-10-8-7-9-11-21)24(30)20(5)28-12-14-29(15-13-28)22-16-19(4)25-23(26-22)18(2)3/h7-11,16,18,20H,6,12-15,17H2,1-5H3/p+1/t20-/m0/s1