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

Systemtic Name: 4-butoxy-3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-butoxy-3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-butoxy-3-methoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-butoxy-3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-butoxy-3-methoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)OC

InChI

InChI=1S/C24H32N2O3/c1-3-4-15-29-22-12-11-19(16-23(22)28-2)24(27)25-17-20-9-5-6-10-21(20)18-26-13-7-8-14-26/h5-6,9-12,16H,3-4,7-8,13-15,17-18H2,1-2H3,(H,25,27)/p+1