N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(1-methyl-2-imidazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C19H30N6O+2 MolecularWeight: 358.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)N3CCC[NH+](CC3)C

Isomeric SMILES

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C19H28N6O/c1-4-24(15-18-20-8-11-23(18)3)19(26)16-6-7-17(21-14-16)25-10-5-9-22(2)12-13-25/h6-8,11,14H,4-5,9-10,12-13,15H2,1-3H3/p+2