6-azanyl-1-butyl-4-(butylamino)-2H-pyridin-1-ium-1-carbonitrile; methanolate; chloride

Systemtic Name: 6-azanyl-1-butyl-4-(butylamino)-2H-pyridin-1-ium-1-carbonitrile; methanolate; chloride Openeye Name: 6-amino-1-butyl-4-(butylamino)-2H-pyridin-1-ium-1-carbonitrile; methanolate; chloride CAS Name: 6-amino-1-butyl-4-(butylamino)-2H-pyridin-1-ium-1-carbonitrile; methanolate; chloride IUPAC Name: 6-amino-1-butyl-4-(butylamino)-2H-pyridin-1-ium-1-carbonitrile; methanolate; chloride Traditional Name: 6-amino-1-butyl-4-(butylamino)-2H-pyridin-1-ium-1-carbonitrile; methanolate; chloride Formula: C15H28ClN4O- MolecularWeight: 315.86202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC[N+](C(=C1)N)(CCCC)C#N.C[O-].[Cl-]

Isomeric SMILES

CCCCNC1=CC[N+](C(=C1)N)(CCCC)C#N.C[O-].[Cl-]

InChI

InChI=1S/C14H25N4.CH3O.ClH/c1-3-5-8-17-13-7-10-18(12-15,9-6-4-2)14(16)11-13;1-2;/h7,11,17H,3-6,8-10,16H2,1-2H3;1H3;1H/q+1;-1;/p-1