N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acenaphthene-5-carboxamide Formula: C25H27N2O+ MolecularWeight: 371.49468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C25H26N2O/c28-25(23-13-12-19-11-10-18-8-5-9-22(23)24(18)19)26-16-20-6-1-2-7-21(20)17-27-14-3-4-15-27/h1-2,5-9,12-13H,3-4,10-11,14-17H2,(H,26,28)/p+1