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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[(4-methoxyphenyl)methylamino]pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(4-methoxyphenyl)methylamino]-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[(4-methoxyphenyl)methylamino]pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(p-anisylamino)-3-pyridyl]methanone Formula: C23H33N4O2+ MolecularWeight: 397.53372

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2/c1-5-20-16-26(12-13-27(20)17(2)3)23(28)19-8-11-22(25-15-19)24-14-18-6-9-21(29-4)10-7-18/h6-11,15,17,20H,5,12-14,16H2,1-4H3,(H,24,25)/p+1/t20-/m0/s1