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

Systemtic Name: (3-methylphenyl)methyl-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium Openeye Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-(m-tolylmethyl)ammonium CAS Name: [1-[4-[[(3S)-3-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]-[(3-methylphenyl)methyl]ammonium IUPAC Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]piperidin-4-yl]-[(3-methylphenyl)methyl]azanium Traditional Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-(3-methylbenzyl)ammonium Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/c1-19-4-2-5-20(16-19)17-26-22-11-14-27(15-12-22)23-9-7-21(8-10-23)25(30)28-13-3-6-24(29)18-28/h2,4-5,7-10,16,22,24,26,29H,3,6,11-15,17-18H2,1H3/p+1/t24-/m0/s1