(4-phenylpiperazin-1-yl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-phenylpiperazino)-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O/c27-22(26-14-12-25(13-15-26)21-8-2-1-3-9-21)20-7-5-11-24(18-20)17-19-6-4-10-23-16-19/h1-4,6,8-10,16,20H,5,7,11-15,17-18H2/p+1/t20-/m0/s1