N-[(2S)-2-oxidanylpropyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-oxidanylpropyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-[(2S)-2-hydroxypropyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-[(2S)-2-hydroxypropyl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-hydroxypropyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-[(2S)-2-hydroxypropyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C23H38N3O2+ MolecularWeight: 388.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3)O

Isomeric SMILES

C[C@@H](CNC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3)O

InChI

InChI=1S/C23H37N3O2/c1-19(27)18-24-23(28)21-9-16-26(17-10-21)22-11-14-25(15-12-22)13-5-8-20-6-3-2-4-7-20/h2-4,6-7,19,21-22,27H,5,8-18H2,1H3,(H,24,28)/p+1/t19-/m0/s1