1-(6-methyl-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-yl)-1,4-diazepan-4-ium

Systemtic Name: 1-(6-methyl-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-yl)-1,4-diazepan-4-ium Openeye Name: 1-(6-methyl-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-yl)-1,4-diazepan-4-ium CAS Name: 1-[6-methyl-2-(1-pyrrolidinyl)-4-pyrimidin-3-iumyl]-1,4-diazepan-4-ium IUPAC Name: 1-(6-methyl-2-pyrrolidin-1-ylpyrimidin-3-ium-4-yl)-1,4-diazepan-4-ium Traditional Name: 1-(6-methyl-2-pyrrolidino-pyrimidin-3-ium-4-yl)-1,4-diazepan-4-ium Formula: C14H25N5+2 MolecularWeight: 263.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N2CCCC2)N3CCC[NH2+]CC3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N2CCCC2)N3CCC[NH2+]CC3

InChI

InChI=1S/C14H23N5/c1-12-11-13(18-9-4-5-15-6-10-18)17-14(16-12)19-7-2-3-8-19/h11,15H,2-10H2,1H3/p+2