3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

InChI

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