(1-pentylpyridin-1-ium-3-yl)-[4-(1-pentylpyridin-1-ium-3-yl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-pentylpyridin-1-ium-3-yl)-[4-(1-pentylpyridin-1-ium-3-yl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(1-pentylpyridin-1-ium-3-carbonyl)-1,4-diazepan-1-yl]-(1-pentylpyridin-1-ium-3-yl)methanone CAS Name: [4-[oxo-(1-pentyl-3-pyridin-1-iumyl)methyl]-1,4-diazepan-1-yl]-(1-pentyl-3-pyridin-1-iumyl)methanone IUPAC Name: [4-(1-pentylpyridin-1-ium-3-carbonyl)-1,4-diazepan-1-yl]-(1-pentylpyridin-1-ium-3-yl)methanone Traditional Name: [4-(1-amylpyridin-1-ium-3-carbonyl)-1,4-diazepan-1-yl]-(1-amylpyridin-1-ium-3-yl)methanone Formula: C27H40N4O2+2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)C3=C[N+](=CC=C3)CCCCC

Isomeric SMILES

CCCCC[N+]1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)C3=C[N+](=CC=C3)CCCCC

InChI

InChI=1S/C27H40N4O2/c1-3-5-7-14-28-16-9-12-24(22-28)26(32)30-18-11-19-31(21-20-30)27(33)25-13-10-17-29(23-25)15-8-6-4-2/h9-10,12-13,16-17,22-23H,3-8,11,14-15,18-21H2,1-2H3/q+2