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

Systemtic Name: 2-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[(3R)-1-(3-thienylmethyl)pyrrolidin-1-ium-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[(3R)-1-(3-thiophenylmethyl)-3-pyrrolidin-1-iumyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[(3R)-1-(3-thenyl)pyrrolidin-1-ium-3-yl]piperidino]pyrimidine Formula: C18H25N4S+ MolecularWeight: 329.4829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4S/c1-6-19-18(20-7-1)22-9-3-16(4-10-22)17-2-8-21(13-17)12-15-5-11-23-14-15/h1,5-7,11,14,16-17H,2-4,8-10,12-13H2/p+1/t17-/m0/s1