2-[4-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-1-ium-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)-3-pyrrolidin-1-iumyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-1-ium-3-yl]piperidino]pyrimidine Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C3=NC=CC=N3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C3=NC=CC=N3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C21H26N4O2/c1-3-18(20-19(4-1)26-15-27-20)14-24-10-5-17(13-24)16-6-11-25(12-7-16)21-22-8-2-9-23-21/h1-4,8-9,16-17H,5-7,10-15H2/p+1/t17-/m0/s1