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

Systemtic Name: 2-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenoxy]pyrimidine Openeye Name: 2-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenoxy]pyrimidine CAS Name: 2-[4-[[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]methyl]phenoxy]pyrimidine IUPAC Name: 2-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenoxy]pyrimidine Traditional Name: 2-[4-[[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]methyl]phenoxy]pyrimidine Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C20H26N4O/c1-2-14-24(13-1)18-5-3-12-23(16-18)15-17-6-8-19(9-7-17)25-20-21-10-4-11-22-20/h4,6-11,18H,1-3,5,12-16H2/p+1/t18-/m0/s1