[1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)cycloheptyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCCC(CC1)(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H28N4/c18-15-17(8-4-1-2-5-9-17)21-13-11-20(12-14-21)16-7-3-6-10-19-16/h3,6-7,10H,1-2,4-5,8-9,11-15,18H2/p+2