2-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-yl]pyrimidine CAS Name: 2-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(1-benzylpiperidin-1-ium-4-yl)piperazino]pyrimidine Formula: C20H28N5+ MolecularWeight: 338.46982

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C20H27N5/c1-2-5-18(6-3-1)17-23-11-7-19(8-12-23)24-13-15-25(16-14-24)20-21-9-4-10-22-20/h1-6,9-10,19H,7-8,11-17H2/p+1