(3S)-6-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3S)-6-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3S)-6-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]chromane-3-carboxamide CAS Name: (3S)-6-chloro-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-6-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3S)-6-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]chroman-3-carboxamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H26ClN3O2/c1-2-25-9-11-26(12-10-25)20-6-4-19(5-7-20)24-22(27)17-13-16-14-18(23)3-8-21(16)28-15-17/h3-8,14,17H,2,9-13,15H2,1H3,(H,24,27)/p+1/t17-/m0/s1