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

Systemtic Name: N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[3-[(2S)-2-(hydroxymethyl)-1-piperidin-1-iumyl]propyl]-3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: 3-methoxy-N-[3-[(2S)-2-methylolpiperidin-1-ium-1-yl]propyl]-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H39N3O4+2 MolecularWeight: 421.57346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O4/c1-25-14-9-20(10-15-25)30-21-8-7-18(16-22(21)29-2)23(28)24-11-5-13-26-12-4-3-6-19(26)17-27/h7-8,16,19-20,27H,3-6,9-15,17H2,1-2H3,(H,24,28)/p+2/t19-/m0/s1