4-nitro-N-phenethyl-N-[4-(1-phenethylpyrrolidin-1-ium-1-yl)butyl]aniline

Systemtic Name: 4-nitro-N-phenethyl-N-[4-(1-phenethylpyrrolidin-1-ium-1-yl)butyl]aniline Openeye Name: 4-nitro-N-phenethyl-N-[4-(1-phenethylpyrrolidin-1-ium-1-yl)butyl]aniline CAS Name: 4-nitro-N-phenethyl-N-[4-(1-phenethyl-1-pyrrolidin-1-iumyl)butyl]aniline IUPAC Name: 4-nitro-N-phenethyl-N-[4-(1-phenethylpyrrolidin-1-ium-1-yl)butyl]aniline Traditional Name: (4-nitrophenyl)-phenethyl-[4-(1-phenethylpyrrolidin-1-ium-1-yl)butyl]amine Formula: C30H38N3O2+ MolecularWeight: 472.64162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCCCN(CCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1CC[N+](C1)(CCCCN(CCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C30H38N3O2/c34-32(35)30-17-15-29(16-18-30)31(22-19-27-11-3-1-4-12-27)21-7-8-23-33(24-9-10-25-33)26-20-28-13-5-2-6-14-28/h1-6,11-18H,7-10,19-26H2/q+1