2-(4-chlorophenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrimidine

Systemtic Name: 2-(4-chlorophenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrimidine Openeye Name: 2-(4-chlorophenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-yl-1-piperidyl]methyl]pyrimidine CAS Name: 2-(4-chlorophenyl)-5-[[(3S)-3-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]pyrimidine IUPAC Name: 2-(4-chlorophenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrimidine Traditional Name: 2-(4-chlorophenyl)-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidino]methyl]pyrimidine Formula: C20H26ClN4+ MolecularWeight: 357.90024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCCN(C2)CC3=CN=C(N=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CCCN(C2)CC3=CN=C(N=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H25ClN4/c21-18-7-5-17(6-8-18)20-22-12-16(13-23-20)14-24-9-3-4-19(15-24)25-10-1-2-11-25/h5-8,12-13,19H,1-4,9-11,14-15H2/p+1/t19-/m0/s1