[6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-(4-isopropylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [6-(4-propan-2-yl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-(4-isopropylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-pyrrolidino-methanone Formula: C17H28N4O+2 MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C17H26N4O/c1-14(2)19-9-11-20(12-10-19)16-6-5-15(13-18-16)17(22)21-7-3-4-8-21/h5-6,13-14H,3-4,7-12H2,1-2H3/p+2