azepan-1-yl-(6-methyl-2-piperazin-4-ium-1-yl-pyrimidin-4-yl)methanone

Systemtic Name: azepan-1-yl-(6-methyl-2-piperazin-4-ium-1-yl-pyrimidin-4-yl)methanone Openeye Name: azepan-1-yl-(6-methyl-2-piperazin-4-ium-1-yl-pyrimidin-4-yl)methanone CAS Name: 1-azepanyl-[6-methyl-2-(1-piperazin-4-iumyl)-4-pyrimidinyl]methanone IUPAC Name: azepan-1-yl-(6-methyl-2-piperazin-4-ium-1-ylpyrimidin-4-yl)methanone Traditional Name: azepan-1-yl-(6-methyl-2-piperazin-4-ium-1-yl-pyrimidin-4-yl)methanone Formula: C16H26N5O+ MolecularWeight: 304.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N2CCCCCC2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N2CCCCCC2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H25N5O/c1-13-12-14(15(22)20-8-4-2-3-5-9-20)19-16(18-13)21-10-6-17-7-11-21/h12,17H,2-11H2,1H3/p+1