ethyl-(phenylmethyl)-(3-piperazin-4-ium-1-ylpropyl)azanium

Systemtic Name: ethyl-(phenylmethyl)-(3-piperazin-4-ium-1-ylpropyl)azanium Openeye Name: benzyl-ethyl-(3-piperazin-4-ium-1-ylpropyl)ammonium CAS Name: ethyl-(phenylmethyl)-[3-(1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: benzyl-ethyl-(3-piperazin-4-ium-1-ylpropyl)azanium Traditional Name: benzyl-ethyl-(3-piperazin-4-ium-1-ylpropyl)ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCN1CC[NH2+]CC1)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CCCN1CC[NH2+]CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H27N3/c1-2-18(15-16-7-4-3-5-8-16)11-6-12-19-13-9-17-10-14-19/h3-5,7-8,17H,2,6,9-15H2,1H3/p+2