4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

InChI

InChI=1S/C25H35N3O2/c1-4-5-18-30-23-14-10-21(11-15-23)25(29)26-19-24(28-16-6-7-17-28)20-8-12-22(13-9-20)27(2)3/h8-15,24H,4-7,16-19H2,1-3H3,(H,26,29)/p+1/t24-/m1/s1