2-[4-[(3R)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3R)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[(3R)-1-(1-isopropyl-4-piperidyl)pyrrolidin-1-ium-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[(3R)-1-(1-propan-2-yl-4-piperidinyl)-3-pyrrolidin-1-iumyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[(3R)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[(3R)-1-(1-isopropyl-4-piperidyl)pyrrolidin-1-ium-3-yl]piperidino]pyrimidine Formula: C21H36N5+ MolecularWeight: 358.54404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCC(C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CC[C@@H](C2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H35N5/c1-17(2)24-14-7-20(8-15-24)26-13-6-19(16-26)18-4-11-25(12-5-18)21-22-9-3-10-23-21/h3,9-10,17-20H,4-8,11-16H2,1-2H3/p+1/t19-/m0/s1