methyl-(phenylmethyl)-(4-piperazin-4-ium-1-ylbutyl)azanium

Systemtic Name: methyl-(phenylmethyl)-(4-piperazin-4-ium-1-ylbutyl)azanium Openeye Name: benzyl-methyl-(4-piperazin-4-ium-1-ylbutyl)ammonium CAS Name: methyl-(phenylmethyl)-[4-(1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: benzyl-methyl-(4-piperazin-4-ium-1-ylbutyl)azanium Traditional Name: benzyl-methyl-(4-piperazin-4-ium-1-ylbutyl)ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCN1CC[NH2+]CC1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCCN1CC[NH2+]CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H27N3/c1-18(15-16-7-3-2-4-8-16)11-5-6-12-19-13-9-17-10-14-19/h2-4,7-8,17H,5-6,9-15H2,1H3/p+2