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

Systemtic Name: 3-methoxy-4-phenylmethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-benzyloxy-3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-methoxy-4-phenylmethoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-methoxy-4-phenylmethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-benzoxy-3-methoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3/c1-31-26-17-22(13-14-25(26)32-20-21-9-3-2-4-10-21)27(30)28-18-23-11-5-6-12-24(23)19-29-15-7-8-16-29/h2-6,9-14,17H,7-8,15-16,18-20H2,1H3,(H,28,30)/p+1