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

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Formula: C26H36N3O+ MolecularWeight: 406.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H35N3O/c1-22(24-10-6-3-7-11-24)20-27-14-12-25(13-15-27)26(30)29-18-16-28(17-19-29)21-23-8-4-2-5-9-23/h2-11,22,25H,12-21H2,1H3/p+1/t22-/m1/s1