(3R)-3-(1,7-diethylindol-3-yl)-3-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide

Systemtic Name: (3R)-3-(1,7-diethylindol-3-yl)-3-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: (3R)-3-(1,7-diethylindol-3-yl)-3-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: (3R)-3-(1,7-diethyl-3-indolyl)-3-phenyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: (3R)-3-(1,7-diethylindol-3-yl)-3-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: (3R)-3-(1,7-diethylindol-3-yl)-3-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C27H36N3O+ MolecularWeight: 418.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N(C=C2C(CC(=O)NCC[NH+]3CCCC3)C4=CC=CC=C4)CC

Isomeric SMILES

CCC1=CC=CC2=C1N(C=C2[C@H](CC(=O)NCC[NH+]3CCCC3)C4=CC=CC=C4)CC

InChI

InChI=1S/C27H35N3O/c1-3-21-13-10-14-23-25(20-30(4-2)27(21)23)24(22-11-6-5-7-12-22)19-26(31)28-15-18-29-16-8-9-17-29/h5-7,10-14,20,24H,3-4,8-9,15-19H2,1-2H3,(H,28,31)/p+1/t24-/m1/s1