1-[(3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4OC)C)OC

InChI

InChI=1S/C26H37N3O2/c1-20-17-26(31-4)21(2)16-22(20)18-27-11-7-8-23(19-27)28-12-14-29(15-13-28)24-9-5-6-10-25(24)30-3/h5-6,9-10,16-17,23H,7-8,11-15,18-19H2,1-4H3/p+1/t23-/m0/s1