[4-(3-methylphenyl)piperazin-1-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-(m-tolyl)piperazin-1-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-(m-tolyl)piperazino]-piperazin-4-ium-1-yl-methanone Formula: C16H25N4O+ MolecularWeight: 289.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H24N4O/c1-14-3-2-4-15(13-14)18-9-11-20(12-10-18)16(21)19-7-5-17-6-8-19/h2-4,13,17H,5-12H2,1H3/p+1