4-butoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-butoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-butoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-butoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-butoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-butoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C26H36N3O2+ MolecularWeight: 422.58294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCC4

InChI

InChI=1S/C26H35N3O2/c1-3-4-17-31-23-10-7-20(8-11-23)26(30)27-19-25(29-14-5-6-15-29)21-9-12-24-22(18-21)13-16-28(24)2/h7-12,18,25H,3-6,13-17,19H2,1-2H3,(H,27,30)/p+1/t25-/m1/s1