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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-(2-pyrazol-1-ylethylamino)pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(2-pyrazol-1-ylethylamino)-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[2-(1-pyrazolyl)ethylamino]-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-(2-pyrazol-1-ylethylamino)pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(2-pyrazol-1-ylethylamino)-3-pyridyl]methanone Formula: C20H31N6O+ MolecularWeight: 371.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCCN3C=CC=N3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCCN3C=CC=N3

InChI

InChI=1S/C20H30N6O/c1-4-18-15-24(12-13-26(18)16(2)3)20(27)17-6-7-19(22-14-17)21-9-11-25-10-5-8-23-25/h5-8,10,14,16,18H,4,9,11-13,15H2,1-3H3,(H,21,22)/p+1/t18-/m0/s1