ethyl-(phenylmethyl)-[(2S)-2-piperazin-4-ium-1-ylpropyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(C)N2CC[NH2+]CC2

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C16H27N3/c1-3-18(14-16-7-5-4-6-8-16)13-15(2)19-11-9-17-10-12-19/h4-8,15,17H,3,9-14H2,1-2H3/p+2/t15-/m0/s1