2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(8-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(8-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-2,3-dimethyl-benzyl)-4-(8-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](CC2CCO)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H33N3O2/c1-19-20(2)25(31-3)10-9-22(19)17-29-14-13-28(18-24(29)11-15-30)16-23-7-4-6-21-8-5-12-27-26(21)23/h4-10,12,24,30H,11,13-18H2,1-3H3/p+1/t24-/m0/s1