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

Systemtic Name: ethyl-(phenylmethyl)-(4-piperazin-4-ium-1-ylbutyl)azanium Openeye Name: benzyl-ethyl-(4-piperazin-4-ium-1-ylbutyl)ammonium CAS Name: ethyl-(phenylmethyl)-[4-(1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: benzyl-ethyl-(4-piperazin-4-ium-1-ylbutyl)azanium Traditional Name: benzyl-ethyl-(4-piperazin-4-ium-1-ylbutyl)ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3/c1-2-19(16-17-8-4-3-5-9-17)12-6-7-13-20-14-10-18-11-15-20/h3-5,8-9,18H,2,6-7,10-16H2,1H3/p+2