[4-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H35N2O2+ MolecularWeight: 407.5683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O2/c1-20(2)22-7-5-21(6-8-22)19-27-17-13-25(14-18-27)30-24-11-9-23(10-12-24)26(29)28-15-3-4-16-28/h5-12,20,25H,3-4,13-19H2,1-2H3/p+1