2-[2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine

Systemtic Name: 2-[2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine Openeye Name: 2-[2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine CAS Name: 2-[2-[[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidin-1-iumyl]methyl]-1-pyrrolyl]pyrimidine IUPAC Name: 2-[2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine Traditional Name: 2-[2-[[(3S)-3-(4-phenylpiperazino)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine Formula: C24H31N6+ MolecularWeight: 403.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H30N6/c1-2-7-21(8-3-1)28-15-17-29(18-16-28)22-9-4-13-27(19-22)20-23-10-5-14-30(23)24-25-11-6-12-26-24/h1-3,5-8,10-12,14,22H,4,9,13,15-20H2/p+1/t22-/m0/s1