(2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone

Systemtic Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone Openeye Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone CAS Name: (2S)-2-(4-methyl-1-piperidin-1-iumyl)-1-(1-piperazinyl)-2-(1H-pyrrol-2-yl)ethanone IUPAC Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone Traditional Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazino-2-(1H-pyrrol-2-yl)ethanone Formula: C16H27N4O+ MolecularWeight: 291.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC=CN2)C(=O)N3CCNCC3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CC=CN2)C(=O)N3CCNCC3

InChI

InChI=1S/C16H26N4O/c1-13-4-9-19(10-5-13)15(14-3-2-6-18-14)16(21)20-11-7-17-8-12-20/h2-3,6,13,15,17-18H,4-5,7-12H2,1H3/p+1/t15-/m0/s1