2,3,4-trimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2,3,4-trimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2,3,4-trimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2,3,4-trimethoxy-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2,3,4-trimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2,3,4-trimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC)OC

InChI

InChI=1S/C23H30N2O4/c1-27-20-12-11-19(21(28-2)22(20)29-3)23(26)24-15-17-7-9-18(10-8-17)16-25-13-5-4-6-14-25/h7-12H,4-6,13-16H2,1-3H3,(H,24,26)/p+1