N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[methyl-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]amino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[methyl-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]amino]pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[methyl-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]amino]pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[(1-methyl-2-imidazolyl)methyl]-6-[methyl-[[(2R)-1-methyl-2-piperidin-1-iumyl]methyl]amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[methyl-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]amino]pyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[methyl-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]amino]pyridin-1-ium-3-carboxamide Formula: C21H34N6O+2 MolecularWeight: 386.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)N(C)CC3CCCC[NH+]3C

Isomeric SMILES

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)N(C)C[C@H]3CCCC[NH+]3C

InChI

InChI=1S/C21H32N6O/c1-5-27(16-20-22-11-13-25(20)3)21(28)17-9-10-19(23-14-17)26(4)15-18-8-6-7-12-24(18)2/h9-11,13-14,18H,5-8,12,15-16H2,1-4H3/p+2/t18-/m1/s1