N-ethyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-6-(4-propyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide

Systemtic Name: N-ethyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-6-(4-propyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide Openeye Name: N-ethyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-6-(4-propyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide CAS Name: N-ethyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-6-(4-propyl-1,4-diazepan-4-ium-1-yl)-3-pyridinecarboxamide IUPAC Name: N-ethyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-6-(4-propyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide Traditional Name: N-ethyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-6-(4-propyl-1,4-diazepan-4-ium-1-yl)nicotinamide Formula: C21H34N6O+2 MolecularWeight: 386.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCCN(CC1)C2=NC=C(C=C2)C(=O)N(CC)CC3=[N+](C=CN3)C

Isomeric SMILES

CCC[NH+]1CCCN(CC1)C2=NC=C(C=C2)C(=O)N(CC)CC3=[N+](C=CN3)C

InChI

InChI=1S/C21H32N6O/c1-4-10-25-11-6-12-27(15-14-25)19-8-7-18(16-23-19)21(28)26(5-2)17-20-22-9-13-24(20)3/h7-9,13,16H,4-6,10-12,14-15,17H2,1-3H3/p+2