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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C20H30N2O3/c1-15-5-11-22(12-6-15)20(24)17-7-9-21(10-8-17)14-16-3-4-18(23)19(13-16)25-2/h3-4,13,15,17,23H,5-12,14H2,1-2H3/p+1