[4-chloranyl-2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-chloranyl-2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-chloro-2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-(1-piperidyl)methanone CAS Name: [4-chloro-2-[[1-[(4-ethynylphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-chloro-2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-chloro-2-[1-(4-ethynylbenzyl)piperidin-1-ium-4-yl]oxy-phenyl]-piperidino-methanone Formula: C26H30ClN2O2+ MolecularWeight: 437.9816

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4

Isomeric SMILES

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4

InChI

InChI=1S/C26H29ClN2O2/c1-2-20-6-8-21(9-7-20)19-28-16-12-23(13-17-28)31-25-18-22(27)10-11-24(25)26(30)29-14-4-3-5-15-29/h1,6-11,18,23H,3-5,12-17,19H2/p+1