2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]benzenecarbothioamide

Systemtic Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]benzenecarbothioamide Openeye Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]benzenecarbothioamide CAS Name: 2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]benzenecarbothioamide IUPAC Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]benzenecarbothioamide Traditional Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]thiobenzamide Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=CC=CC=C2C(=S)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C16H25N3S/c1-13-7-4-5-11-19(13)12-6-10-18-15-9-3-2-8-14(15)16(17)20/h2-3,8-9,13,18H,4-7,10-12H2,1H3,(H2,17,20)/p+1/t13-/m0/s1