[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[2-(furan-2-yl)ethylamino]pyridin-3-yl]methanone

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[2-(furan-2-yl)ethylamino]pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[2-(2-furyl)ethylamino]-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[2-(2-furanyl)ethylamino]-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[2-(furan-2-yl)ethylamino]pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[2-(2-furyl)ethylamino]-3-pyridyl]methanone Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCCC3=CC=CO3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCCC3=CC=CO3

InChI

InChI=1S/C21H30N4O2/c1-4-18-15-24(11-12-25(18)16(2)3)21(26)17-7-8-20(23-14-17)22-10-9-19-6-5-13-27-19/h5-8,13-14,16,18H,4,9-12,15H2,1-3H3,(H,22,23)/p+1/t18-/m0/s1