[6-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridin-3-yl]-[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]methanone

Systemtic Name: [6-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridin-3-yl]-[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]methanone Openeye Name: [6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridyl]-[(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]methanone CAS Name: [6-[(1,5-dimethyl-4-pyrazolyl)methylamino]-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]methanone IUPAC Name: [6-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridin-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]methanone Traditional Name: [6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridyl]-[(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]methanone Formula: C21H33N6O+ MolecularWeight: 385.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCC3=C(N(N=C3)C)C

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCC3=C(N(N=C3)C)C

InChI

InChI=1S/C21H32N6O/c1-6-19-14-26(9-10-27(19)15(2)3)21(28)17-7-8-20(22-11-17)23-12-18-13-24-25(5)16(18)4/h7-8,11,13,15,19H,6,9-10,12,14H2,1-5H3,(H,22,23)/p+1/t19-/m0/s1