[4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(4-ethynylphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-(4-ethynylbenzyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2/c1-2-20-5-7-21(8-6-20)19-26-17-13-24(14-18-26)29-23-11-9-22(10-12-23)25(28)27-15-3-4-16-27/h1,5-12,24H,3-4,13-19H2/p+1