(3S)-3-(azepan-1-ium-1-ylmethyl)-3-oxidanyl-1-(3-phenylpropyl)piperidin-2-one

Systemtic Name: (3S)-3-(azepan-1-ium-1-ylmethyl)-3-oxidanyl-1-(3-phenylpropyl)piperidin-2-one Openeye Name: (3S)-3-(azepan-1-ium-1-ylmethyl)-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one CAS Name: (3S)-3-(1-azepan-1-iumylmethyl)-3-hydroxy-1-(3-phenylpropyl)-2-piperidinone IUPAC Name: (3S)-3-(azepan-1-ium-1-ylmethyl)-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one Traditional Name: (3S)-3-(azepan-1-ium-1-ylmethyl)-3-hydroxy-1-(3-phenylpropyl)-2-piperidone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2(CCCN(C2=O)CCCC3=CC=CC=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@]2(CCCN(C2=O)CCCC3=CC=CC=C3)O

InChI

InChI=1S/C21H32N2O2/c24-20-21(25,18-22-14-6-1-2-7-15-22)13-9-17-23(20)16-8-12-19-10-4-3-5-11-19/h3-5,10-11,25H,1-2,6-9,12-18H2/p+1/t21-/m0/s1