2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(6-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(6-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-4-(6-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC4=C(C=C3)N=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=C(C=C3)N=CC=C4)OC

InChI

InChI=1S/C25H31N3O2/c1-19-14-20(6-8-25(19)30-2)17-28-12-11-27(18-23(28)9-13-29)16-21-5-7-24-22(15-21)4-3-10-26-24/h3-8,10,14-15,23,29H,9,11-13,16-18H2,1-2H3/p+1/t23-/m0/s1