2-(4-methoxyphenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrimidine

Systemtic Name: 2-(4-methoxyphenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrimidine Openeye Name: 2-(4-methoxyphenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-yl-1-piperidyl]methyl]pyrimidine CAS Name: 2-(4-methoxyphenyl)-5-[[(3S)-3-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]pyrimidine IUPAC Name: 2-(4-methoxyphenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrimidine Traditional Name: 2-(4-methoxyphenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidino]methyl]pyrimidine Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(C=N2)CN3CCCC(C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(C=N2)CN3CCC[C@@H](C3)[NH+]4CCCC4

InChI

InChI=1S/C21H28N4O/c1-26-20-8-6-18(7-9-20)21-22-13-17(14-23-21)15-24-10-4-5-19(16-24)25-11-2-3-12-25/h6-9,13-14,19H,2-5,10-12,15-16H2,1H3/p+1/t19-/m0/s1