[2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[(4-ethynylphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-(4-ethynylbenzyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

Isomeric SMILES

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

InChI

InChI=1S/C26H30N2O2/c1-2-21-10-12-22(13-11-21)20-27-18-14-23(15-19-27)30-25-9-5-4-8-24(25)26(29)28-16-6-3-7-17-28/h1,4-5,8-13,23H,3,6-7,14-20H2/p+1