4-methoxy-2-[[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-methoxy-2-[[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-(4-isopropylanilino)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 4-methoxy-2-[[(3S)-3-(4-propan-2-ylanilino)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-methoxy-2-[[(3S)-3-(4-propan-2-ylanilino)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-cumidinopiperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=C(C=CC(=C3)OC)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C22H30N2O2/c1-16(2)17-6-8-19(9-7-17)23-20-5-4-12-24(15-20)14-18-13-21(26-3)10-11-22(18)25/h6-11,13,16,20,23,25H,4-5,12,14-15H2,1-3H3/p+1/t20-/m0/s1