4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]morpholine

Systemtic Name: 4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]morpholine Openeye Name: 4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]morpholine CAS Name: 4-[(3S)-1-[[2-(4-methoxyphenyl)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]morpholine IUPAC Name: 4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]morpholine Traditional Name: 4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]morpholine Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(C=N2)C[NH+]3CCCC(C3)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(C=N2)C[NH+]3CCC[C@@H](C3)N4CCOCC4

InChI

InChI=1S/C21H28N4O2/c1-26-20-6-4-18(5-7-20)21-22-13-17(14-23-21)15-24-8-2-3-19(16-24)25-9-11-27-12-10-25/h4-7,13-14,19H,2-3,8-12,15-16H2,1H3/p+1/t19-/m0/s1