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

Systemtic Name: 3-butoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 3-butoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 3-butoxy-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 3-butoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 3-butoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H30N2O2/c1-2-3-16-27-22-9-7-8-20(17-22)23(26)24-21-12-10-19(11-13-21)18-25-14-5-4-6-15-25/h7-13,17H,2-6,14-16,18H2,1H3,(H,24,26)/p+1