naphthalen-1-yl-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: 1-naphthalenyl-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C27H33N3O+2 MolecularWeight: 415.57042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N3O/c31-27(26-12-6-10-23-9-4-5-11-25(23)26)30-19-17-29(18-20-30)24-13-15-28(16-14-24)21-22-7-2-1-3-8-22/h1-12,24H,13-21H2/p+2