[(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)[NH2+]CCCN2CC[NH+](CC2)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](C)[NH2+]CCCN2CC[NH+](CC2)C)O

InChI

InChI=1S/C17H29N3O/c1-14-5-6-16(17(21)13-14)15(2)18-7-4-8-20-11-9-19(3)10-12-20/h5-6,13,15,18,21H,4,7-12H2,1-3H3/p+2/t15-/m0/s1