2-methyl-5-(quinolin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine dichloride

Systemtic Name: 2-methyl-5-(quinolin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine dichloride Openeye Name: 2-methyl-5-(quinolin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine dichloride CAS Name: 2-methyl-5-(1-quinolin-1-iumylmethyl)-4-pyrimidin-1-iumamine dichloride IUPAC Name: 2-methyl-5-(quinolin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine dichloride Traditional Name: [2-methyl-5-(quinolin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-yl]amine dichloride Formula: C15H16Cl2N4 MolecularWeight: 323.22034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=N1)N)C[N+]2=CC=CC3=CC=CC=C32.[Cl-].[Cl-]

Isomeric SMILES

CC1=[NH+]C=C(C(=N1)N)C[N+]2=CC=CC3=CC=CC=C32.[Cl-].[Cl-]

InChI

InChI=1S/C15H15N4.2ClH/c1-11-17-9-13(15(16)18-11)10-19-8-4-6-12-5-2-3-7-14(12)19;;/h2-9H,10H2,1H3,(H2,16,17,18);2*1H/q+1;;/p-1