[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C18H26N2O3/c1-23-16-6-4-5-15(17(16)21)13-19-11-7-14(8-12-19)18(22)20-9-2-3-10-20/h4-6,14,21H,2-3,7-13H2,1H3/p+1