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

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1-naphthylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(1-naphthalenylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[1-(1-naphthylmethyl)piperidin-1-ium-4-yl]methanone Formula: C29H36N3O+ MolecularWeight: 442.61564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C29H35N3O/c1-22-7-5-12-28(23(22)2)31-17-19-32(20-18-31)29(33)25-13-15-30(16-14-25)21-26-10-6-9-24-8-3-4-11-27(24)26/h3-12,25H,13-21H2,1-2H3/p+1