[(3R)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(3R)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(3R)-4-indan-5-yloxy-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(3R)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(3R)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(3R)-4-indan-5-yloxy-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CC[NH3+])COC2=CC3=C(CCC3)C=C2

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CC[NH3+])COC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H29N3O/c1-20-9-11-21(12-10-20)17(7-8-19)14-22-18-6-5-15-3-2-4-16(15)13-18/h5-6,13,17H,2-4,7-12,14,19H2,1H3/p+2/t17-/m1/s1