(3S)-6-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3S)-6-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3S)-6-chloro-N-(4-methylpiperazin-4-ium-1-yl)chromane-3-carboxamide CAS Name: (3S)-6-chloro-N-(4-methyl-1-piperazin-4-iumyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-6-chloro-N-(4-methylpiperazin-4-ium-1-yl)-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3S)-6-chloro-N-(4-methylpiperazin-4-ium-1-yl)chroman-3-carboxamide Formula: C15H21ClN3O2+ MolecularWeight: 310.79914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C15H20ClN3O2/c1-18-4-6-19(7-5-18)17-15(20)12-8-11-9-13(16)2-3-14(11)21-10-12/h2-3,9,12H,4-8,10H2,1H3,(H,17,20)/p+1/t12-/m0/s1