N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[2-[(2S)-2-(hydroxymethyl)-1-piperidin-1-iumyl]ethyl]-3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: 3-methoxy-N-[2-[(2S)-2-methylolpiperidin-1-ium-1-yl]ethyl]-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C22H37N3O4+2 MolecularWeight: 407.54688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC[NH+]3CCCCC3CO)OC

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC[NH+]3CCCC[C@H]3CO)OC

InChI

InChI=1S/C22H35N3O4/c1-24-12-8-19(9-13-24)29-20-7-6-17(15-21(20)28-2)22(27)23-10-14-25-11-4-3-5-18(25)16-26/h6-7,15,18-19,26H,3-5,8-14,16H2,1-2H3,(H,23,27)/p+2/t18-/m0/s1