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

Systemtic Name: (3S)-N-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[[2-(2-methoxyphenyl)-5-pyrimidinyl]methyl]-N-methyl-1-(3-phenylpropyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-amine Traditional Name: [2-(2-methoxyphenyl)pyrimidin-5-yl]methyl-methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amine Formula: C27H35N4O+ MolecularWeight: 431.593

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C(N=C1)C2=CC=CC=C2OC)C3CCC[NH+](C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=C(N=C1)C2=CC=CC=C2OC)[C@H]3CCC[NH+](C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O/c1-30(20-23-18-28-27(29-19-23)25-14-6-7-15-26(25)32-2)24-13-9-17-31(21-24)16-8-12-22-10-4-3-5-11-22/h3-7,10-11,14-15,18-19,24H,8-9,12-13,16-17,20-21H2,1-2H3/p+1/t24-/m0/s1