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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC2CN3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC[C@H]2CN3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O/c1-14-4-6-15(7-5-14)17(21)20-10-2-3-16(20)13-19-11-8-18-9-12-19/h4-7,16,18H,2-3,8-13H2,1H3/p+1/t16-/m0/s1