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

Systemtic Name: [(4S)-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydrochromen-4-yl]methylazanium Openeye Name: [(4S)-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)chroman-4-yl]methylammonium CAS Name: [(4S)-6-methoxy-4-(4-methyl-1-piperazin-4-iumyl)-3,4-dihydro-2H-1-benzopyran-4-yl]methylammonium IUPAC Name: [(4S)-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydrochromen-4-yl]methylazanium Traditional Name: [(4S)-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)chroman-4-yl]methylammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2(CCOC3=C2C=C(C=C3)OC)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)[C@]2(CCOC3=C2C=C(C=C3)OC)C[NH3+]

InChI

InChI=1S/C16H25N3O2/c1-18-6-8-19(9-7-18)16(12-17)5-10-21-15-4-3-13(20-2)11-14(15)16/h3-4,11H,5-10,12,17H2,1-2H3/p+2/t16-/m1/s1