N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-[[(3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H30N4O3/c1-4-25-9-7-22-20(25)15-24-8-5-6-16(14-24)13-23-21(26)17-10-18(27-2)12-19(11-17)28-3/h7,9-12,16H,4-6,8,13-15H2,1-3H3,(H,23,26)/p+1/t16-/m0/s1