5-chloranyl-2-methoxy-4-[[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 5-chloranyl-2-methoxy-4-[[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 5-chloro-2-methoxy-4-[[(3S)-3-(4-methoxyanilino)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 5-chloro-2-methoxy-4-[[(3S)-3-(4-methoxyanilino)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 5-chloro-2-methoxy-4-[[(3S)-3-(4-methoxyanilino)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 5-chloro-2-methoxy-4-[[(3S)-3-(p-anisidino)piperidin-1-ium-1-yl]methyl]phenol Formula: C20H26ClN2O3+ MolecularWeight: 377.88504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CC(=C(C=C3Cl)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3Cl)O)OC

InChI

InChI=1S/C20H25ClN2O3/c1-25-17-7-5-15(6-8-17)22-16-4-3-9-23(13-16)12-14-10-20(26-2)19(24)11-18(14)21/h5-8,10-11,16,22,24H,3-4,9,12-13H2,1-2H3/p+1/t16-/m0/s1