3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 3-[(4-methoxyphenoxy)methyl]-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C27H30N2O3/c1-31-25-12-14-26(15-13-25)32-20-22-6-5-7-23(18-22)27(30)28-24-10-8-21(9-11-24)19-29-16-3-2-4-17-29/h5-15,18H,2-4,16-17,19-20H2,1H3,(H,28,30)/p+1