1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(4-phenylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(4-phenylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[4-[oxo-(4-phenylphenyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]ethanone Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c1-20-7-5-6-14-28(20)24(29)19-26-15-17-27(18-16-26)25(30)23-12-10-22(11-13-23)21-8-3-2-4-9-21/h2-4,8-13,20H,5-7,14-19H2,1H3/p+1/t20-/m0/s1