N-[3-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-4-phenyl-butanamide

Systemtic Name: N-[3-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-4-phenyl-butanamide Openeye Name: N-[3-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-1-piperidyl]phenyl]-4-phenyl-butanamide CAS Name: N-[3-[4-[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]-4-phenylbutanamide IUPAC Name: N-[3-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-4-phenylbutanamide Traditional Name: N-[3-[4-[(3S)-3-methylolpiperidin-1-ium-1-yl]piperidino]phenyl]-4-phenyl-butyramide Formula: C27H38N3O2+ MolecularWeight: 436.60952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4)CO

InChI

InChI=1S/C27H37N3O2/c31-21-23-10-6-16-30(20-23)25-14-17-29(18-15-25)26-12-5-11-24(19-26)28-27(32)13-4-9-22-7-2-1-3-8-22/h1-3,5,7-8,11-12,19,23,25,31H,4,6,9-10,13-18,20-21H2,(H,28,32)/p+1/t23-/m0/s1