[(1S,3S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)cyclohexyl]methylazanium

Systemtic Name: [(1S,3S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)cyclohexyl]methylazanium Openeye Name: [(1S,3S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)cyclohexyl]methylammonium CAS Name: [(1S,3S)-3-methyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]cyclohexyl]methylammonium IUPAC Name: [(1S,3S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)cyclohexyl]methylazanium Traditional Name: [(1S,3S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazino)cyclohexyl]methylammonium Formula: C17H30N4+2 MolecularWeight: 290.4469

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H]1CCC[C@](C1)(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H28N4/c1-15-5-4-7-17(13-15,14-18)21-11-9-20(10-12-21)16-6-2-3-8-19-16/h2-3,6,8,15H,4-5,7,9-14,18H2,1H3/p+2/t15-,17-/m0/s1