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

Systemtic Name: 3-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]-3-methoxy-phenol CAS Name: 3-methoxy-2-[[(3S)-3-(4-propan-2-ylanilino)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 3-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]-3-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=C3OC)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=C(C=CC=C3OC)O

InChI

InChI=1S/C22H30N2O2/c1-16(2)17-9-11-18(12-10-17)23-19-6-5-13-24(14-19)15-20-21(25)7-4-8-22(20)26-3/h4,7-12,16,19,23,25H,5-6,13-15H2,1-3H3/p+1/t19-/m0/s1