4-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[(3S)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[(3S)-1-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrimidine IUPAC Name: 4-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[(3S)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidine Formula: C24H34N4S+2 MolecularWeight: 410.61856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC=CC(=N2)C3CCC[NH+](C3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC=CC(=N2)[C@H]3CCC[NH+](C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H32N4S/c1-2-8-21(9-3-1)10-6-16-28-17-7-11-22(20-28)23-12-13-25-24(26-23)29-19-18-27-14-4-5-15-27/h1-3,6,8-10,12-13,22H,4-5,7,11,14-20H2/p+2/b10-6+/t22-/m0/s1