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

Systemtic Name: 3,4,5-triethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C28H40N3O4+ MolecularWeight: 482.6349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC(C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCC4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC[C@H](C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCC4

InChI

InChI=1S/C28H39N3O4/c1-5-33-25-17-22(18-26(34-6-2)27(25)35-7-3)28(32)29-19-24(31-13-8-9-14-31)20-10-11-23-21(16-20)12-15-30(23)4/h10-11,16-18,24H,5-9,12-15,19H2,1-4H3,(H,29,32)/p+1/t24-/m1/s1