(4-phenylpiperazin-1-yl)-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-phenylpiperazino)-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O/c1-21(22-8-4-2-5-9-22)20-26-14-12-23(13-15-26)25(29)28-18-16-27(17-19-28)24-10-6-3-7-11-24/h2-11,21,23H,12-20H2,1H3/p+1/t21-/m1/s1