1-(2-methoxyphenyl)-4-[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-3-yl]piperazin-4-ium Openeye Name: 1-[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C28H42N4O+2 MolecularWeight: 450.65928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H40N4O/c1-33-28-12-6-5-11-27(28)31-20-18-30(19-21-31)26-10-7-15-32(23-26)25-13-16-29(17-14-25)22-24-8-3-2-4-9-24/h2-6,8-9,11-12,25-26H,7,10,13-23H2,1H3/p+2/t26-/m0/s1