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

Systemtic Name: [(1S)-6-ethyl-1-(4-methylpiperazin-4-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-yl]methylazanium Openeye Name: [(1S)-6-ethyl-1-(4-methylpiperazin-4-ium-1-yl)tetralin-1-yl]methylammonium CAS Name: [(1S)-6-ethyl-1-(4-methyl-1-piperazin-4-iumyl)-3,4-dihydro-2H-naphthalen-1-yl]methylammonium IUPAC Name: [(1S)-6-ethyl-1-(4-methylpiperazin-4-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-yl]methylazanium Traditional Name: [(1S)-6-ethyl-1-(4-methylpiperazin-4-ium-1-yl)tetralin-1-yl]methylammonium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(CCC2)(C[NH3+])N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)[C@@](CCC2)(C[NH3+])N3CC[NH+](CC3)C

InChI

InChI=1S/C18H29N3/c1-3-15-6-7-17-16(13-15)5-4-8-18(17,14-19)21-11-9-20(2)10-12-21/h6-7,13H,3-5,8-12,14,19H2,1-2H3/p+2/t18-/m1/s1