2-[4-[(3R)-1-(1,4-dithiepan-6-yl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3R)-1-(1,4-dithiepan-6-yl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[(3R)-1-(1,4-dithiepan-6-yl)pyrrolidin-1-ium-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[(3R)-1-(1,4-dithiepan-6-yl)-3-pyrrolidin-1-iumyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[(3R)-1-(1,4-dithiepan-6-yl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[(3R)-1-(1,4-dithiepan-6-yl)pyrrolidin-1-ium-3-yl]piperidino]pyrimidine Formula: C18H29N4S2+ MolecularWeight: 365.57966

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C3=NC=CC=N3)C4CSCCSC4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C3=NC=CC=N3)C4CSCCSC4

InChI

InChI=1S/C18H28N4S2/c1-5-19-18(20-6-1)21-7-2-15(3-8-21)16-4-9-22(12-16)17-13-23-10-11-24-14-17/h1,5-6,15-17H,2-4,7-14H2/p+1/t16-/m0/s1