(2S)-1-piperazin-1-yl-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-1-piperazin-1-yl-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(4-isopropylphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-1-(1-piperazinyl)-2-(4-propan-2-ylphenyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-1-piperazin-1-yl-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-p-cumenyl-1-piperazino-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCCC3

InChI

InChI=1S/C19H29N3O/c1-15(2)16-5-7-17(8-6-16)18(21-11-3-4-12-21)19(23)22-13-9-20-10-14-22/h5-8,15,18,20H,3-4,9-14H2,1-2H3/p+1/t18-/m0/s1