[1-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]azanium Openeye Name: [1-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoyl]-4-piperidyl]ammonium CAS Name: [1-[1-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-4-piperidinyl]ammonium IUPAC Name: [1-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]azanium Traditional Name: [1-[3-(4-pyridin-1-ium-2-ylpiperazino)propanoyl]-4-piperidyl]ammonium Formula: C17H29N5O+2 MolecularWeight: 319.44506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH3+])C(=O)CCN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCC1[NH3+])C(=O)CCN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H27N5O/c18-15-4-9-22(10-5-15)17(23)6-8-20-11-13-21(14-12-20)16-3-1-2-7-19-16/h1-3,7,15H,4-6,8-14,18H2/p+2