2-(4-methylphenyl)ethyl-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(4-methylphenyl)ethyl-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium Openeye Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-[2-(p-tolyl)ethyl]ammonium CAS Name: [1-[4-[[(3S)-3-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]-[2-(4-methylphenyl)ethyl]ammonium IUPAC Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]piperidin-4-yl]-[2-(4-methylphenyl)ethyl]azanium Traditional Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-[2-(p-tolyl)ethyl]ammonium Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCCC(C4)O

Isomeric SMILES

CC1=CC=C(C=C1)CC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCC[C@@H](C4)O

InChI

InChI=1S/C26H35N3O2/c1-20-4-6-21(7-5-20)12-15-27-23-13-17-28(18-14-23)24-10-8-22(9-11-24)26(31)29-16-2-3-25(30)19-29/h4-11,23,25,27,30H,2-3,12-19H2,1H3/p+1/t25-/m0/s1