[2-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]amino]-2-oxidanylidene-ethyl]-methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [2-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]amino]-2-oxidanylidene-ethyl]-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]amino]-2-oxo-ethyl]-methyl-(3-pyridylmethyl)ammonium CAS Name: [2-[[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]amino]-2-oxoethyl]-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [2-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]amino]-2-oxoethyl]-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [2-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]amino]-2-keto-ethyl]-methyl-(3-pyridylmethyl)ammonium Formula: C21H36N4O+2 MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)CC(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C21H34N4O/c1-24(15-18-8-6-12-22-14-18)17-21(26)23-19-9-7-13-25(16-19)20-10-4-2-3-5-11-20/h6,8,12,14,19-20H,2-5,7,9-11,13,15-17H2,1H3,(H,23,26)/p+2/t19-/m0/s1