1-[(3S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(2,4-dimethoxy-3-methyl-benzyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C26H38N3O3+ MolecularWeight: 440.59822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4OC)OC

InChI

InChI=1S/C26H37N3O3/c1-20-24(30-2)12-11-21(26(20)32-4)18-27-13-7-8-22(19-27)28-14-16-29(17-15-28)23-9-5-6-10-25(23)31-3/h5-6,9-12,22H,7-8,13-19H2,1-4H3/p+1/t22-/m0/s1