3-methoxy-4-(2-methylpropoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-methoxy-4-(2-methylpropoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 4-isobutoxy-3-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 3-methoxy-4-(2-methylpropoxy)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 3-methoxy-4-(2-methylpropoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 4-isobutoxy-3-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)OC

InChI

InChI=1S/C23H30N2O3/c1-17(2)16-28-21-11-8-19(14-22(21)27-3)23(26)24-20-9-6-18(7-10-20)15-25-12-4-5-13-25/h6-11,14,17H,4-5,12-13,15-16H2,1-3H3,(H,24,26)/p+1