(2-methylphenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: o-tolyl-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: (2-methylphenyl)-[(2S)-2-(1-piperazin-4-iumylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: (2-methylphenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: o-tolyl-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidino]methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCC2CN3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC[C@H]2CN3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O/c1-14-5-2-3-7-16(14)17(21)20-10-4-6-15(20)13-19-11-8-18-9-12-19/h2-3,5,7,15,18H,4,6,8-13H2,1H3/p+1/t15-/m0/s1