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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[(1-methylpyrazol-4-yl)methylamino]pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[(1-methyl-4-pyrazolyl)methylamino]-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[(1-methylpyrazol-4-yl)methylamino]pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(1-methylpyrazol-4-yl)methylamino]-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)NCC3=CN(N=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O/c1-5-18-14-25(8-9-26(18)15(2)3)20(27)17-6-7-19(22-12-17)21-10-16-11-23-24(4)13-16/h6-7,11-13,15,18H,5,8-10,14H2,1-4H3,(H,21,22)/p+1/t18-/m0/s1