(4-methylpiperazin-4-ium-1-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C17H27N3O+2 MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

InChI

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