N-naphthalen-2-yl-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-naphthalen-2-yl-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(2-naphthyl)-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(2-naphthalenyl)-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-naphthalen-2-yl-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(2-naphthyl)-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C24H28N3O2+ MolecularWeight: 390.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC3=CC=CC=C3C=C2)CCOC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC3=CC=CC=C3C=C2)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c28-24(25-22-12-11-20-7-4-5-8-21(20)19-22)27-14-6-13-26(15-16-27)17-18-29-23-9-2-1-3-10-23/h1-5,7-12,19H,6,13-18H2,(H,25,28)/p+1