[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [3-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone Formula: C17H28N4O+2 MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C17H26N4O/c1-19-9-11-20(12-10-19)14-15-3-2-4-16(13-15)17(22)21-7-5-18-6-8-21/h2-4,13,18H,5-12,14H2,1H3/p+2