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

Systemtic Name: [(3S)-4-(4-methoxyphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(3S)-4-(4-methoxyphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(3S)-4-(4-methoxyphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(3S)-4-(4-methoxyphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(3S)-4-(4-methoxyphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O2/c1-18-9-11-19(12-10-18)14(7-8-17)13-21-16-5-3-15(20-2)4-6-16/h3-6,14H,7-13,17H2,1-2H3/p+2/t14-/m0/s1