[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-[(3R)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Traditional Name: [(3R)-3-methylpiperidino]-(1-vanillylpiperidin-1-ium-4-yl)methanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)O)OC

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C20H30N2O3/c1-15-4-3-9-22(13-15)20(24)17-7-10-21(11-8-17)14-16-5-6-18(23)19(12-16)25-2/h5-6,12,15,17,23H,3-4,7-11,13-14H2,1-2H3/p+1/t15-/m1/s1