[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium

Systemtic Name: [1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium Openeye Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-[3-(3-pyridyl)propyl]ammonium CAS Name: [1-[4-[[(3S)-3-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium Traditional Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-[3-(3-pyridyl)propyl]ammonium Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCC4=CN=CC=C4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCC4=CN=CC=C4)O

InChI

InChI=1S/C25H34N4O2/c30-24-6-3-15-29(19-24)25(31)21-7-9-23(10-8-21)28-16-11-22(12-17-28)27-14-2-5-20-4-1-13-26-18-20/h1,4,7-10,13,18,22,24,27,30H,2-3,5-6,11-12,14-17,19H2/p+1/t24-/m0/s1