[(2S)-2-cyclohexyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-cyclohexyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2S)-2-cyclohexyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-2-cyclohexyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2S)-2-cyclohexyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2S)-2-cyclohexyl-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C17H30N4+2 MolecularWeight: 290.4469

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCC(CC1)[C@@H](C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H28N4/c18-14-16(15-6-2-1-3-7-15)20-10-12-21(13-11-20)17-8-4-5-9-19-17/h4-5,8-9,15-16H,1-3,6-7,10-14,18H2/p+2/t16-/m1/s1