[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[4-(1-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C25H34N3O+ MolecularWeight: 392.55696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4)C

InChI

InChI=1S/C25H33N3O/c1-20-7-6-8-24(21(20)2)27-15-17-28(18-16-27)25(29)23-11-9-22(10-12-23)19-26-13-4-3-5-14-26/h6-12H,3-5,13-19H2,1-2H3/p+1