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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[(5-methylthiophen-2-yl)methylamino]pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(5-methyl-2-thienyl)methylamino]-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[(5-methyl-2-thiophenyl)methylamino]-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[(5-methylthiophen-2-yl)methylamino]pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(5-methyl-2-thienyl)methylamino]-3-pyridyl]methanone Formula: C21H31N4OS+ MolecularWeight: 387.56204

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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(S3)C

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCC3=CC=C(S3)C

InChI

InChI=1S/C21H30N4OS/c1-5-18-14-24(10-11-25(18)15(2)3)21(26)17-7-9-20(22-12-17)23-13-19-8-6-16(4)27-19/h6-9,12,15,18H,5,10-11,13-14H2,1-4H3,(H,22,23)/p+1/t18-/m0/s1