5-chloranyl-2-methoxy-4-[[(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-amino]methyl]phenol

Systemtic Name: 5-chloranyl-2-methoxy-4-[[(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-amino]methyl]phenol Openeye Name: 5-chloro-2-methoxy-4-[[(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-amino]methyl]phenol CAS Name: 5-chloro-2-methoxy-4-[[(1-methyl-4-piperidin-1-iumyl)methyl-phenethylamino]methyl]phenol IUPAC Name: 5-chloro-2-methoxy-4-[[(1-methylpiperidin-1-ium-4-yl)methyl-phenethylamino]methyl]phenol Traditional Name: 5-chloro-2-methoxy-4-[[(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-amino]methyl]phenol Formula: C23H32ClN2O2+ MolecularWeight: 403.96538

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)CC3=CC(=C(C=C3Cl)O)OC

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)CC3=CC(=C(C=C3Cl)O)OC

InChI

InChI=1S/C23H31ClN2O2/c1-25-11-8-19(9-12-25)16-26(13-10-18-6-4-3-5-7-18)17-20-14-23(28-2)22(27)15-21(20)24/h3-7,14-15,19,27H,8-13,16-17H2,1-2H3/p+1