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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-(pyridin-2-ylmethylamino)pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(2-pyridylmethylamino)-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-(2-pyridinylmethylamino)-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-(pyridin-2-ylmethylamino)pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(2-pyridylmethylamino)-3-pyridyl]methanone Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCC3=CC=CC=N3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCC3=CC=CC=N3

InChI

InChI=1S/C21H29N5O/c1-4-19-15-25(11-12-26(19)16(2)3)21(27)17-8-9-20(23-13-17)24-14-18-7-5-6-10-22-18/h5-10,13,16,19H,4,11-12,14-15H2,1-3H3,(H,23,24)/p+1/t19-/m0/s1