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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(2-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-2,3-dimethyl-benzyl)-4-(2-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=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](C[C@@H]2CCO)CC3=NC4=CC=CC=C4C=C3

InChI

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