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

Systemtic Name: 2-[2-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine Openeye Name: 2-[2-[[(3S)-3-pyrrolidin-1-ium-1-yl-1-piperidyl]methyl]pyrrol-1-yl]pyrimidine CAS Name: 2-[2-[[(3S)-3-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]-1-pyrrolyl]pyrimidine IUPAC Name: 2-[2-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine Traditional Name: 2-[2-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidino]methyl]pyrrol-1-yl]pyrimidine Formula: C18H26N5+ MolecularWeight: 312.43254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C18H25N5/c1-2-12-22(11-1)16-6-3-10-21(14-16)15-17-7-4-13-23(17)18-19-8-5-9-20-18/h4-5,7-9,13,16H,1-3,6,10-12,14-15H2/p+1/t16-/m0/s1