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

Systemtic Name: 2-methoxy-4-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]phenol Openeye Name: 2-methoxy-4-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]phenol CAS Name: 2-methoxy-4-[[[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]amino]methyl]phenol IUPAC Name: 2-methoxy-4-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]phenol Traditional Name: 4-[[[(3S)-1-m-anisylpiperidin-1-ium-3-yl]amino]methyl]-2-methoxy-phenol Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=CC(=C(C=C3)O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C21H28N2O3/c1-25-19-7-3-5-17(11-19)14-23-10-4-6-18(15-23)22-13-16-8-9-20(24)21(12-16)26-2/h3,5,7-9,11-12,18,22,24H,4,6,10,13-15H2,1-2H3/p+1/t18-/m0/s1