6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(2-isopropylimidazol-1-yl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carboxamide CAS Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[3-(2-propan-2-yl-1-imidazolyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridin-1-ium-3-carboxamide Traditional Name: N-[3-(2-isopropylimidazol-1-yl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carboxamide Formula: C21H34N6O+2 MolecularWeight: 386.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=NC=CN1CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C21H32N6O/c1-17(2)20-22-9-13-27(20)11-4-8-23-21(28)18-6-7-19(24-16-18)26-12-5-10-25(3)14-15-26/h6-7,9,13,16-17H,4-5,8,10-12,14-15H2,1-3H3,(H,23,28)/p+2