1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]piperazine Formula: C26H36N3O+ MolecularWeight: 406.58354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H35N3O/c1-22(19-23-9-4-3-5-10-23)20-27-14-8-11-24(21-27)28-15-17-29(18-16-28)25-12-6-7-13-26(25)30-2/h3-7,9-10,12-13,19,24H,8,11,14-18,20-21H2,1-2H3/p+1/b22-19+/t24-/m0/s1