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

Systemtic Name: N-butyl-N-[4-(1-butylpyrrolidin-1-ium-1-yl)butyl]-4-nitro-aniline Openeye Name: N-butyl-N-[4-(1-butylpyrrolidin-1-ium-1-yl)butyl]-4-nitro-aniline CAS Name: N-butyl-N-[4-(1-butyl-1-pyrrolidin-1-iumyl)butyl]-4-nitroaniline IUPAC Name: N-butyl-N-[4-(1-butylpyrrolidin-1-ium-1-yl)butyl]-4-nitroaniline Traditional Name: butyl-[4-(1-butylpyrrolidin-1-ium-1-yl)butyl]-(4-nitrophenyl)amine Formula: C22H38N3O2+ MolecularWeight: 376.55602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC[N+]1(CCCC1)CCCC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC[N+]1(CCCC1)CCCC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H38N3O2/c1-3-5-15-23(21-11-13-22(14-12-21)24(26)27)16-7-8-18-25(17-6-4-2)19-9-10-20-25/h11-14H,3-10,15-20H2,1-2H3/q+1