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

Systemtic Name: [2-[1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[(3,4-dimethylphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(3,4-dimethylbenzyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCC4)C

InChI

InChI=1S/C25H32N2O2/c1-19-9-10-21(17-20(19)2)18-26-15-11-22(12-16-26)29-24-8-4-3-7-23(24)25(28)27-13-5-6-14-27/h3-4,7-10,17,22H,5-6,11-16,18H2,1-2H3/p+1