[(3S)-4-(2-methoxy-4-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(3S)-4-(2-methoxy-4-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(3S)-4-(2-methoxy-4-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(3S)-4-(2-methoxy-4-methylphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(3S)-4-(2-methoxy-4-methylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(3S)-4-(2-methoxy-4-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C17H31N3O2+2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CC[NH3+])N2CC[NH+](CC2)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](CC[NH3+])N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C17H29N3O2/c1-14-4-5-16(17(12-14)21-3)22-13-15(6-7-18)20-10-8-19(2)9-11-20/h4-5,12,15H,6-11,13,18H2,1-3H3/p+2/t15-/m0/s1