2-[(4-butylphenyl)amino]-3-phenethyl-1,5-dihydroimidazol-3-ium-4-one

Systemtic Name: 2-[(4-butylphenyl)amino]-3-phenethyl-1,5-dihydroimidazol-3-ium-4-one Openeye Name: 2-(4-butylanilino)-3-phenethyl-1,5-dihydroimidazol-3-ium-4-one CAS Name: 2-(4-butylanilino)-3-phenethyl-1,5-dihydroimidazol-3-ium-4-one IUPAC Name: 2-(4-butylanilino)-3-phenethyl-1,5-dihydroimidazol-3-ium-4-one Traditional Name: 2-(4-butylanilino)-3-phenethyl-2-imidazolin-3-ium-4-one Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=[N+](C(=O)CN2)CCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=[N+](C(=O)CN2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-2-3-7-18-10-12-19(13-11-18)23-21-22-16-20(25)24(21)15-14-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-16H2,1H3,(H,22,23)/p+1