2-[4-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(2S)-3-(diphenylmethyl)oxy-2-hydroxypropyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[(2S)-3-benzhydryloxy-2-hydroxypropyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C[C@@H](COC(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H37N3O3/c31-25(22-33-27(23-10-4-1-5-11-23)24-12-6-2-7-13-24)20-28-16-18-29(19-17-28)21-26(32)30-14-8-3-9-15-30/h1-2,4-7,10-13,25,27,31H,3,8-9,14-22H2/p+1/t25-/m0/s1