(2S)-2-(4-tert-butylphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(4-tert-butylphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(4-tert-butylphenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(4-tert-butylphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(4-tert-butylphenyl)-1-piperazino-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O/c1-20(2,3)17-8-6-16(7-9-17)18(22-12-4-5-13-22)19(24)23-14-10-21-11-15-23/h6-9,18,21H,4-5,10-15H2,1-3H3/p+1/t18-/m0/s1