(2S)-1-(4-phenylpiperazin-1-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-(4-phenyl-1-piperazinyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-1-propanone IUPAC Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-phenylpiperazino)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propan-1-one Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH+]3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH+]3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O/c1-20(25-14-12-22(13-15-25)21-8-4-2-5-9-21)24(28)27-18-16-26(17-19-27)23-10-6-3-7-11-23/h2-12,20H,13-19H2,1H3/p+1/t20-/m0/s1