[(4S)-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydrochromen-4-yl]methylazanium

Systemtic Name: [(4S)-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydrochromen-4-yl]methylazanium Openeye Name: [(4S)-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)chroman-4-yl]methylammonium CAS Name: [(4S)-6-ethyl-4-(4-methyl-1-piperazin-4-iumyl)-3,4-dihydro-2H-1-benzopyran-4-yl]methylammonium IUPAC Name: [(4S)-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydrochromen-4-yl]methylazanium Traditional Name: [(4S)-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)chroman-4-yl]methylammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OCCC2(C[NH3+])N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OCC[C@]2(C[NH3+])N3CC[NH+](CC3)C

InChI

InChI=1S/C17H27N3O/c1-3-14-4-5-16-15(12-14)17(13-18,6-11-21-16)20-9-7-19(2)8-10-20/h4-5,12H,3,6-11,13,18H2,1-2H3/p+2/t17-/m1/s1