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

Systemtic Name: [1-(cyclohexylmethyl)piperidin-1-ium-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [1-(cyclohexylmethyl)piperidin-1-ium-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [1-(cyclohexylmethyl)-4-piperidin-1-iumyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(cyclohexylmethyl)piperidin-1-ium-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [1-(cyclohexylmethyl)piperidin-1-ium-4-yl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C25H40N3O+ MolecularWeight: 398.6046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4CCCCC4)C

InChI

InChI=1S/C25H39N3O/c1-20-7-6-10-24(21(20)2)27-15-17-28(18-16-27)25(29)23-11-13-26(14-12-23)19-22-8-4-3-5-9-22/h6-7,10,22-23H,3-5,8-9,11-19H2,1-2H3/p+1