(2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone

Systemtic Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone Openeye Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone CAS Name: (2R)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-2-(1H-pyrrol-2-yl)ethanone IUPAC Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone Traditional Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazino-2-(1H-pyrrol-2-yl)ethanone Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1C(C2=CC=CN2)C(=O)N3CCNCC3)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1[C@H](C2=CC=CN2)C(=O)N3CCNCC3)C

InChI

InChI=1S/C17H28N4O/c1-13-5-3-6-14(2)21(13)16(15-7-4-8-19-15)17(22)20-11-9-18-10-12-20/h4,7-8,13-14,16,18-19H,3,5-6,9-12H2,1-2H3/p+1/t13-,14-,16+/m0/s1