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

Systemtic Name: [2-[1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[(3,4-dimethylphenyl)methyl]-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(3,4-dimethylbenzyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)OC)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)OC)C(=O)N4CCCC4)C

InChI

InChI=1S/C26H34N2O3/c1-19-6-7-21(16-20(19)2)18-27-14-10-22(11-15-27)31-25-17-23(30-3)8-9-24(25)26(29)28-12-4-5-13-28/h6-9,16-17,22H,4-5,10-15,18H2,1-3H3/p+1