N-[4-[4-[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-5-phenyl-pentanamide

Systemtic Name: N-[4-[4-[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-5-phenyl-pentanamide Openeye Name: N-[4-[4-[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]-1-piperidyl]phenyl]-5-phenyl-pentanamide CAS Name: N-[4-[4-[(3S)-3-(methoxymethyl)-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]-5-phenylpentanamide IUPAC Name: N-[4-[4-[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-5-phenylpentanamide Traditional Name: N-[4-[4-[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]piperidino]phenyl]-5-phenyl-valeramide Formula: C29H42N3O2+ MolecularWeight: 464.66268

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

COC[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C29H41N3O2/c1-34-23-25-11-7-19-32(22-25)28-17-20-31(21-18-28)27-15-13-26(14-16-27)30-29(33)12-6-5-10-24-8-3-2-4-9-24/h2-4,8-9,13-16,25,28H,5-7,10-12,17-23H2,1H3,(H,30,33)/p+1/t25-/m0/s1