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

Systemtic Name: 2-[[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[(3S)-3-(3,4-dimethylanilino)-1-piperidin-1-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC3=C(C=CC(=C3)OC)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=C(C=CC(=C3)OC)O)C

InChI

InChI=1S/C21H28N2O2/c1-15-6-7-18(11-16(15)2)22-19-5-4-10-23(14-19)13-17-12-20(25-3)8-9-21(17)24/h6-9,11-12,19,22,24H,4-5,10,13-14H2,1-3H3/p+1/t19-/m0/s1