[(3S)-4-(3-ethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(3S)-4-(3-ethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(3S)-4-(3-ethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(3S)-4-(3-ethylphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(3S)-4-(3-ethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(3S)-4-(3-ethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CC[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](CC[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C17H29N3O/c1-3-15-5-4-6-17(13-15)21-14-16(7-8-18)20-11-9-19(2)10-12-20/h4-6,13,16H,3,7-12,14,18H2,1-2H3/p+2/t16-/m0/s1