2-[4-[(3R)-1-[(4,5-dimethylfuran-2-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3R)-1-[(4,5-dimethylfuran-2-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[(3R)-1-[(4,5-dimethyl-2-furyl)methyl]pyrrolidin-1-ium-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[(3R)-1-[(4,5-dimethyl-2-furanyl)methyl]-3-pyrrolidin-1-iumyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[(3R)-1-[(4,5-dimethylfuran-2-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[(3R)-1-[(4,5-dimethyl-2-furyl)methyl]pyrrolidin-1-ium-3-yl]piperidino]pyrimidine Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCC(C2)C3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CC[C@@H](C2)C3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C20H28N4O/c1-15-12-19(25-16(15)2)14-23-9-4-18(13-23)17-5-10-24(11-6-17)20-21-7-3-8-22-20/h3,7-8,12,17-18H,4-6,9-11,13-14H2,1-2H3/p+1/t18-/m0/s1