[(4S)-8-ethyl-4-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydrochromen-4-yl]methylazanium

Systemtic Name: [(4S)-8-ethyl-4-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydrochromen-4-yl]methylazanium Openeye Name: [(4S)-8-ethyl-4-(4-methylpiperazin-4-ium-1-yl)chroman-4-yl]methylammonium CAS Name: [(4S)-8-ethyl-4-(4-methyl-1-piperazin-4-iumyl)-3,4-dihydro-2H-1-benzopyran-4-yl]methylammonium IUPAC Name: [(4S)-8-ethyl-4-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydrochromen-4-yl]methylazanium Traditional Name: [(4S)-8-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=CC=CC2=C1OCCC2(C[NH3+])N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=CC2=C1OCC[C@]2(C[NH3+])N3CC[NH+](CC3)C

InChI

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