N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(1-methyl-1H-pyrazol-1-ium-5-yl)propanamide

Systemtic Name: N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(1-methyl-1H-pyrazol-1-ium-5-yl)propanamide Openeye Name: N-[2,3-bis(4-chlorophenyl)-1-methyl-propyl]-3-(1-methyl-1H-pyrazol-1-ium-5-yl)propanamide CAS Name: N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(1-methyl-1H-pyrazol-1-ium-5-yl)propanamide IUPAC Name: N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(1-methyl-1H-pyrazol-1-ium-5-yl)propanamide Traditional Name: N-[2,3-bis(4-chlorophenyl)-1-methyl-propyl]-3-(1-methyl-1H-pyrazol-1-ium-5-yl)propionamide Formula: C23H26Cl2N3O+ MolecularWeight: 431.37804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)NC(=O)CCC3=CC=N[NH+]3C

Isomeric SMILES

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)NC(=O)CCC3=CC=N[NH+]3C

InChI

InChI=1S/C23H25Cl2N3O/c1-16(27-23(29)12-11-21-13-14-26-28(21)2)22(18-5-9-20(25)10-6-18)15-17-3-7-19(24)8-4-17/h3-10,13-14,16,22H,11-12,15H2,1-2H3,(H,27,29)/p+1