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

Systemtic Name: [4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-[(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=C(C=C2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

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

InChI

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