(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(2S)-3-methylbutan-2-yl]amino]pyridin-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(2S)-3-methylbutan-2-yl]amino]pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(1S)-1,2-dimethylpropyl]amino]-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(2S)-3-methylbutan-2-yl]amino]-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(2S)-3-methylbutan-2-yl]amino]pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(1S)-1,2-dimethylpropyl]amino]-3-pyridyl]methanone Formula: C22H37N4O+ MolecularWeight: 373.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC1=NC=C(C=C1)C(=O)N2CCC[NH+](CC2)C3CCCCC3

Isomeric SMILES

C[C@@H](C(C)C)NC1=NC=C(C=C1)C(=O)N2CCC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C22H36N4O/c1-17(2)18(3)24-21-11-10-19(16-23-21)22(27)26-13-7-12-25(14-15-26)20-8-5-4-6-9-20/h10-11,16-18,20H,4-9,12-15H2,1-3H3,(H,23,24)/p+1/t18-/m0/s1