[(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H37N5O+2 MolecularWeight: 375.55138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H35N5O/c1-3-24-13-15-25(16-14-24)18-21(27)26-11-6-8-20(17-26)23(2)12-9-19-7-4-5-10-22-19/h4-5,7,10,20H,3,6,8-9,11-18H2,1-2H3/p+2/t20-/m0/s1