1-(6-ethyl-2-piperidin-1-yl-pyrimidin-3-ium-4-yl)-1,4-diazepan-4-ium

Systemtic Name: 1-(6-ethyl-2-piperidin-1-yl-pyrimidin-3-ium-4-yl)-1,4-diazepan-4-ium Openeye Name: 1-[6-ethyl-2-(1-piperidyl)pyrimidin-3-ium-4-yl]-1,4-diazepan-4-ium CAS Name: 1-[6-ethyl-2-(1-piperidinyl)-4-pyrimidin-3-iumyl]-1,4-diazepan-4-ium IUPAC Name: 1-(6-ethyl-2-piperidin-1-ylpyrimidin-3-ium-4-yl)-1,4-diazepan-4-ium Traditional Name: 1-(6-ethyl-2-piperidino-pyrimidin-3-ium-4-yl)-1,4-diazepan-4-ium Formula: C16H29N5+2 MolecularWeight: 291.43496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=[NH+]C(=N1)N2CCCCC2)N3CCC[NH2+]CC3

Isomeric SMILES

CCC1=CC(=[NH+]C(=N1)N2CCCCC2)N3CCC[NH2+]CC3

InChI

InChI=1S/C16H27N5/c1-2-14-13-15(20-11-6-7-17-8-12-20)19-16(18-14)21-9-4-3-5-10-21/h13,17H,2-12H2,1H3/p+2