[(4S)-4-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C17H31N3O2+2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CCC[NH3+])C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](CCC[NH3+])C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C17H29N3O2/c1-19-9-11-20(12-10-19)16(5-4-8-18)15-13-14(21-2)6-7-17(15)22-3/h6-7,13,16H,4-5,8-12,18H2,1-3H3/p+2/t16-/m0/s1