(3S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[[2-(2-methoxyethyl)-5-pyrimidinyl]methyl]-1-(3-phenylpropyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine Traditional Name: [2-(2-methoxyethyl)pyrimidin-5-yl]methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amine Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC=C(C=N1)CNC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

COCCC1=NC=C(C=N1)CN[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O/c1-27-14-11-22-24-16-20(17-25-22)15-23-21-10-6-13-26(18-21)12-5-9-19-7-3-2-4-8-19/h2-4,7-8,16-17,21,23H,5-6,9-15,18H2,1H3/p+1/t21-/m0/s1